4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one

C181H207FN12O31 — CID 167625504

IUPAC4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
SMILESCCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)CN)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1
InChIInChI=1S/2C31H36N2O5.C30H36N2O6.2C30H34N2O5.C29H31FN2O5/c1-19-5-7-20(8-6-19)28-29-23(30(2,17-32)18-37-29)16-27(33-28)31(3,35)14-13-24(34)21-9-12-25(26(15-21)36-4)38-22-10-11-22;1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;2*1-18-5-7-19(8-6-18)27-28-22(29(2,31)17-36-28)16-26(32-27)30(3,34)14-13-23(33)20-9-12-24(25(15-20)35-4)37-21-10-11-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h5-9,12,15-16,22,35H,10-11,13-14,17-18,32H2,1-4H3;6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;2*5-9,12,15-16,21,34H,10-11,13-14,17,31H2,1-4H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3/t;;;29-,30+;29-,30-;/m...11./s1
InChIKeyNASFVWCWGJHRLB-DOPSEYKHSA-N
MW3065.70 g/mol
LogP29.88
Rot. Bonds58

About 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one

4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one (PubChem CID 167625504) has the molecular formula C181H207FN12O31 and a molecular weight of 3065.70 g/mol. Its IUPAC name is 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
PubChem CID167625504
Molecular FormulaC181H207FN12O31
Molecular Weight3065.70 g/mol
Exact Mass3063.50
IUPAC Name4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
SMILESCCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)CN)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1
InChIInChI=1S/2C31H36N2O5.C30H36N2O6.2C30H34N2O5.C29H31FN2O5/c1-19-5-7-20(8-6-19)28-29-23(30(2,17-32)18-37-29)16-27(33-28)31(3,35)14-13-24(34)21-9-12-25(26(15-21)36-4)38-22-10-11-22;1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;2*1-18-5-7-19(8-6-18)27-28-22(29(2,31)17-36-28)16-26(32-27)30(3,34)14-13-23(33)20-9-12-24(25(15-20)35-4)37-21-10-11-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h5-9,12,15-16,22,35H,10-11,13-14,17-18,32H2,1-4H3;6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;2*5-9,12,15-16,21,34H,10-11,13-14,17,31H2,1-4H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3/t;;;29-,30+;29-,30-;/m...11./s1
InChIKeyNASFVWCWGJHRLB-DOPSEYKHSA-N
XLogP29.88
TPSA643.63 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds58
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003065.70
LogP ≤ 529.88
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Analyze 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The IUPAC name of 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one (CID 167625504) is 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one.
What is the SMILES notation for 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The canonical SMILES for 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one is CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)CN)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OC[C@@]3(C)N)ccc1OC1CC1.
What is the InChIKey of 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The InChIKey is NASFVWCWGJHRLB-DOPSEYKHSA-N. The full InChI is InChI=1S/2C31H36N2O5.C30H36N2O6.2C30H34N2O5.C29H31FN2O5/c1-19-5-7-20(8-6-19)28-29-23(30(2,17-32)18-37-29)16-27(33-28)31(3,35)14-13-24(34)21-9-12-25(26(15-21)36-4)38-22-10-11-22;1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;2*1-18-5-7-19(8-6-18)27-28-22(29(2,31)17-36-28)16-26(32-27)30(3,34)14-13-23(33)20-9-12-24(25(15-20)35-4)37-21-10-11-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h5-9,12,15-16,22,35H,10-11,13-14,17-18,32H2,1-4H3;6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;2*5-9,12,15-16,21,34H,10-11,13-14,17,31H2,1-4H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3/t;;;29-,30+;29-,30-;/m...11./s1.
What are the key properties of 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one has a molecular weight of 3065.70 g/mol, XLogP of 29.88, 58 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-(aminomethyl)-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4R)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;(4S)-4-[(3S)-3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one is sourced from PubChem (CID 167625504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).