(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H29Cl2F2N5O5 — CID 164911139

IUPAC(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2nc(-c3cc(Cl)c(F)cc3F)c3c(c2Cl)[C@@](C)(C(N)=O)CO3)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H29Cl2F2N5O5/c1-31(30(37)43)13-46-27-23(31)24(34)28(39-26(27)18-9-19(33)21(36)10-20(18)35)32(44,16-3-4-16)12-38-29(42)14-7-15-11-41(17-5-6-17)40-25(15)22(8-14)45-2/h7-11,16-17,44H,3-6,12-13H2,1-2H3,(H2,37,43)(H,38,42)/t31-,32+/m0/s1
InChIKeyLEYQZGVWSUKXMK-AJQTZOPKSA-N
MW672.52 g/mol
LogP5.19
Rot. Bonds9

About (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164911139) has the molecular formula C32H29Cl2F2N5O5 and a molecular weight of 672.52 g/mol. Its IUPAC name is (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164911139
Molecular FormulaC32H29Cl2F2N5O5
Molecular Weight672.52 g/mol
Exact Mass671.15
IUPAC Name(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2nc(-c3cc(Cl)c(F)cc3F)c3c(c2Cl)[C@@](C)(C(N)=O)CO3)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C32H29Cl2F2N5O5/c1-31(30(37)43)13-46-27-23(31)24(34)28(39-26(27)18-9-19(33)21(36)10-20(18)35)32(44,16-3-4-16)12-38-29(42)14-7-15-11-41(17-5-6-17)40-25(15)22(8-14)45-2/h7-11,16-17,44H,3-6,12-13H2,1-2H3,(H2,37,43)(H,38,42)/t31-,32+/m0/s1
InChIKeyLEYQZGVWSUKXMK-AJQTZOPKSA-N
XLogP5.19
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.52
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-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)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164911139) is (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](O)(c2nc(-c3cc(Cl)c(F)cc3F)c3c(c2Cl)[C@@](C)(C(N)=O)CO3)C2CC2)cc2cn(C3CC3)nc12.
What is the InChIKey of (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is LEYQZGVWSUKXMK-AJQTZOPKSA-N. The full InChI is InChI=1S/C32H29Cl2F2N5O5/c1-31(30(37)43)13-46-27-23(31)24(34)28(39-26(27)18-9-19(33)21(36)10-20(18)35)32(44,16-3-4-16)12-38-29(42)14-7-15-11-41(17-5-6-17)40-25(15)22(8-14)45-2/h7-11,16-17,44H,3-6,12-13H2,1-2H3,(H2,37,43)(H,38,42)/t31-,32+/m0/s1.
What are the key properties of (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 672.52 g/mol, XLogP of 5.19, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-chloro-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).