4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one

C32H38FN3O5 — CID 147390776

IUPAC4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1
InChIInChI=1S/C32H38FN3O5/c1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22/h5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3
InChIKeyDMUZNYMOIQVCRB-UHFFFAOYSA-N
MW563.67 g/mol
LogP4.77
Rot. Bonds12

About 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one

4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one (PubChem CID 147390776) has the molecular formula C32H38FN3O5 and a molecular weight of 563.67 g/mol. Its IUPAC name is 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
PubChem CID147390776
Molecular FormulaC32H38FN3O5
Molecular Weight563.67 g/mol
Exact Mass563.28
IUPAC Name4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1
InChIInChI=1S/C32H38FN3O5/c1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22/h5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3
InChIKeyDMUZNYMOIQVCRB-UHFFFAOYSA-N
XLogP4.77
TPSA115.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.67
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one with MolForge

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Related Compounds

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502998
US11420976, Example 14
CID 156809848
US11420976, Example 21
CID 156809861
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 24
CID 156809936
US11420976, Example 9
CID 158470136
US11420976, Example 13
CID 162459431
US11420976, Example 51
CID 163884105
US11420976, Example 7
CID 165436682

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The IUPAC name of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one (CID 147390776) is 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-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-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The canonical SMILES for 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)NCCN)ccc1OC1CC1.
What is the InChIKey of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
The InChIKey is DMUZNYMOIQVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O5/c1-19-15-21(5-9-24(19)33)29-30-23(31(2,18-40-30)35-14-13-34)17-28(36-29)32(3,38)12-11-25(37)20-6-10-26(27(16-20)39-4)41-22-7-8-22/h5-6,9-10,15-17,22,35,38H,7-8,11-14,18,34H2,1-4H3.
What are the key properties of 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one?
4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one has a molecular weight of 563.67 g/mol, XLogP of 4.77, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethylamino)-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one is sourced from PubChem (CID 147390776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).