(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C34H28Cl2F2N6O5 — CID 170409095

IUPAC(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cc(F)nc(F)c2)c2cc3c(c(-c4cccc(Cl)c4Cl)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12
InChIInChI=1S/C34H28Cl2F2N6O5/c1-33(32(39)46)15-49-30-21(33)12-24(41-29(30)20-4-3-5-22(35)27(20)36)34(47,18-10-25(37)42-26(38)11-18)14-40-31(45)16-8-17-13-44(19-6-7-19)43-28(17)23(9-16)48-2/h3-5,8-13,19,47H,6-7,14-15H2,1-2H3,(H2,39,46)(H,40,45)/t33-,34+/m0/s1
InChIKeyVOFNXJXRHNXUHJ-SZAHLOSFSA-N
MW709.54 g/mol
LogP5.22
Rot. Bonds9

About (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170409095) has the molecular formula C34H28Cl2F2N6O5 and a molecular weight of 709.54 g/mol. Its IUPAC name is (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID170409095
Molecular FormulaC34H28Cl2F2N6O5
Molecular Weight709.54 g/mol
Exact Mass708.15
IUPAC Name(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2cc(F)nc(F)c2)c2cc3c(c(-c4cccc(Cl)c4Cl)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12
InChIInChI=1S/C34H28Cl2F2N6O5/c1-33(32(39)46)15-49-30-21(33)12-24(41-29(30)20-4-3-5-22(35)27(20)36)34(47,18-10-25(37)42-26(38)11-18)14-40-31(45)16-8-17-13-44(19-6-7-19)43-28(17)23(9-16)48-2/h3-5,8-13,19,47H,6-7,14-15H2,1-2H3,(H2,39,46)(H,40,45)/t33-,34+/m0/s1
InChIKeyVOFNXJXRHNXUHJ-SZAHLOSFSA-N
XLogP5.22
TPSA154.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.54
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-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)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170409095) is (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2cc(F)nc(F)c2)c2cc3c(c(-c4cccc(Cl)c4Cl)n2)OC[C@]3(C)C(N)=O)cc2cn(C3CC3)nc12.
What is the InChIKey of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is VOFNXJXRHNXUHJ-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H28Cl2F2N6O5/c1-33(32(39)46)15-49-30-21(33)12-24(41-29(30)20-4-3-5-22(35)27(20)36)34(47,18-10-25(37)42-26(38)11-18)14-40-31(45)16-8-17-13-44(19-6-7-19)43-28(17)23(9-16)48-2/h3-5,8-13,19,47H,6-7,14-15H2,1-2H3,(H2,39,46)(H,40,45)/t33-,34+/m0/s1.
What are the key properties of (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 709.54 g/mol, XLogP of 5.22, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170409095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).