(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C35H30ClF2N5O5 — CID 170406709

IUPAC(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)cn2cc(C3CC3)nc12
InChIInChI=1S/C35H30ClF2N5O5/c1-34(33(39)45)17-48-30-22(34)12-28(42-29(30)21-11-23(36)25(38)13-24(21)37)35(46,20-6-4-3-5-7-20)16-40-32(44)19-10-27(47-2)31-41-26(18-8-9-18)15-43(31)14-19/h3-7,10-15,18,46H,8-9,16-17H2,1-2H3,(H2,39,45)(H,40,44)/t34-,35+/m0/s1
InChIKeyIJIATNNFDGBUGR-OIDHKYIRSA-N
MW674.10 g/mol
LogP5.02
Rot. Bonds9

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

(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170406709) has the molecular formula C35H30ClF2N5O5 and a molecular weight of 674.10 g/mol. Its IUPAC name is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID170406709
Molecular FormulaC35H30ClF2N5O5
Molecular Weight674.10 g/mol
Exact Mass673.19
IUPAC Name(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)cn2cc(C3CC3)nc12
InChIInChI=1S/C35H30ClF2N5O5/c1-34(33(39)45)17-48-30-22(34)12-28(42-29(30)21-11-23(36)25(38)13-24(21)37)35(46,20-6-4-3-5-7-20)16-40-32(44)19-10-27(47-2)31-41-26(18-8-9-18)15-43(31)14-19/h3-7,10-15,18,46H,8-9,16-17H2,1-2H3,(H2,39,45)(H,40,44)/t34-,35+/m0/s1
InChIKeyIJIATNNFDGBUGR-OIDHKYIRSA-N
XLogP5.02
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.10
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170406709) is (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)c(F)cc4F)n2)OC[C@]3(C)C(N)=O)cn2cc(C3CC3)nc12.
What is the InChIKey of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is IJIATNNFDGBUGR-OIDHKYIRSA-N. The full InChI is InChI=1S/C35H30ClF2N5O5/c1-34(33(39)45)17-48-30-22(34)12-28(42-29(30)21-11-23(36)25(38)13-24(21)37)35(46,20-6-4-3-5-7-20)16-40-32(44)19-10-27(47-2)31-41-26(18-8-9-18)15-43(31)14-19/h3-7,10-15,18,46H,8-9,16-17H2,1-2H3,(H2,39,45)(H,40,44)/t34-,35+/m0/s1.
What are the key properties of (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 674.10 g/mol, XLogP of 5.02, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170406709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).