N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide

C32H32FN5O5 — CID 167023971

IUPACN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnn2)C2CC2)ccc1OC1CC1
InChIInChI=1S/C32H32FN5O5/c1-31(38-14-13-35-37-38)18-42-29-24(31)16-27(36-28(29)19-3-8-22(33)9-4-19)32(40,21-6-7-21)17-34-30(39)20-5-12-25(26(15-20)41-2)43-23-10-11-23/h3-5,8-9,12-16,21,23,40H,6-7,10-11,17-18H2,1-2H3,(H,34,39)/t31-,32?/m0/s1
InChIKeyCMRBDVVCJWWNNQ-CYZZXXEPSA-N
MW585.64 g/mol
LogP4.21
Rot. Bonds10

About N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide

N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide (PubChem CID 167023971) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
PubChem CID167023971
Molecular FormulaC32H32FN5O5
Molecular Weight585.64 g/mol
Exact Mass585.24
IUPAC NameN-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnn2)C2CC2)ccc1OC1CC1
InChIInChI=1S/C32H32FN5O5/c1-31(38-14-13-35-37-38)18-42-29-24(31)16-27(36-28(29)19-3-8-22(33)9-4-19)32(40,21-6-7-21)17-34-30(39)20-5-12-25(26(15-20)41-2)43-23-10-11-23/h3-5,8-9,12-16,21,23,40H,6-7,10-11,17-18H2,1-2H3,(H,34,39)/t31-,32?/m0/s1
InChIKeyCMRBDVVCJWWNNQ-CYZZXXEPSA-N
XLogP4.21
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The IUPAC name of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide (CID 167023971) is N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The canonical SMILES for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide is COc1cc(C(=O)NCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnn2)C2CC2)ccc1OC1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
The InChIKey is CMRBDVVCJWWNNQ-CYZZXXEPSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-31(38-14-13-35-37-38)18-42-29-24(31)16-27(36-28(29)19-3-8-22(33)9-4-19)32(40,21-6-7-21)17-34-30(39)20-5-12-25(26(15-20)41-2)43-23-10-11-23/h3-5,8-9,12-16,21,23,40H,6-7,10-11,17-18H2,1-2H3,(H,34,39)/t31-,32?/m0/s1.
What are the key properties of N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide?
N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide has a molecular weight of 585.64 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide is sourced from PubChem (CID 167023971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).