(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C34H36FN5O5 — CID 164910618

IUPAC(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CCCC2)cn2cc(C3CC3)nc12
InChIInChI=1S/C34H36FN5O5/c1-33(32(36)42)18-45-29-24(33)14-27(39-28(29)20-9-11-23(35)12-10-20)34(43,22-5-3-4-6-22)17-37-31(41)21-13-26(44-2)30-38-25(19-7-8-19)16-40(30)15-21/h9-16,19,22,43H,3-8,17-18H2,1-2H3,(H2,36,42)(H,37,41)/t33-,34+/m0/s1
InChIKeyUJBFQQMHAWRKMC-SZAHLOSFSA-N
MW613.69 g/mol
LogP4.36
Rot. Bonds9

About (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910618) has the molecular formula C34H36FN5O5 and a molecular weight of 613.69 g/mol. Its IUPAC name is (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164910618
Molecular FormulaC34H36FN5O5
Molecular Weight613.69 g/mol
Exact Mass613.27
IUPAC Name(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CCCC2)cn2cc(C3CC3)nc12
InChIInChI=1S/C34H36FN5O5/c1-33(32(36)42)18-45-29-24(33)14-27(39-28(29)20-9-11-23(35)12-10-20)34(43,22-5-3-4-6-22)17-37-31(41)21-13-26(44-2)30-38-25(19-7-8-19)16-40(30)15-21/h9-16,19,22,43H,3-8,17-18H2,1-2H3,(H2,36,42)(H,37,41)/t33-,34+/m0/s1
InChIKeyUJBFQQMHAWRKMC-SZAHLOSFSA-N
XLogP4.36
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.69
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910618) is (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CCCC2)cn2cc(C3CC3)nc12.
What is the InChIKey of (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is UJBFQQMHAWRKMC-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H36FN5O5/c1-33(32(36)42)18-45-29-24(33)14-27(39-28(29)20-9-11-23(35)12-10-20)34(43,22-5-3-4-6-22)17-37-31(41)21-13-26(44-2)30-38-25(19-7-8-19)16-40(30)15-21/h9-16,19,22,43H,3-8,17-18H2,1-2H3,(H2,36,42)(H,37,41)/t33-,34+/m0/s1.
What are the key properties of (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 613.69 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1S)-1-cyclopentyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).