(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H32F3N5O3 — CID 164910430

IUPAC(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C2CC2)c2nn(C(F)F)cc2c1)c1cc2c(c(-c3ccc(F)c(C)c3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C32H32F3N5O3/c1-4-17(13-37-29(41)20-10-21-14-40(31(34)35)39-26(21)22(11-20)18-5-6-18)25-12-23-28(43-15-32(23,3)30(36)42)27(38-25)19-7-8-24(33)16(2)9-19/h7-12,14,17-18,31H,4-6,13,15H2,1-3H3,(H2,36,42)(H,37,41)/t17?,32-/m0/s1
InChIKeyZMRYVHAEMOGFCM-NJMQDWIPSA-N
MW591.63 g/mol
LogP5.88
Rot. Bonds9

About (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164910430) has the molecular formula C32H32F3N5O3 and a molecular weight of 591.63 g/mol. Its IUPAC name is (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164910430
Molecular FormulaC32H32F3N5O3
Molecular Weight591.63 g/mol
Exact Mass591.25
IUPAC Name(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCCC(CNC(=O)c1cc(C2CC2)c2nn(C(F)F)cc2c1)c1cc2c(c(-c3ccc(F)c(C)c3)n1)OC[C@]2(C)C(N)=O
InChIInChI=1S/C32H32F3N5O3/c1-4-17(13-37-29(41)20-10-21-14-40(31(34)35)39-26(21)22(11-20)18-5-6-18)25-12-23-28(43-15-32(23,3)30(36)42)27(38-25)19-7-8-24(33)16(2)9-19/h7-12,14,17-18,31H,4-6,13,15H2,1-3H3,(H2,36,42)(H,37,41)/t17?,32-/m0/s1
InChIKeyZMRYVHAEMOGFCM-NJMQDWIPSA-N
XLogP5.88
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-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-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164910430) is (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CCC(CNC(=O)c1cc(C2CC2)c2nn(C(F)F)cc2c1)c1cc2c(c(-c3ccc(F)c(C)c3)n1)OC[C@]2(C)C(N)=O.
What is the InChIKey of (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is ZMRYVHAEMOGFCM-NJMQDWIPSA-N. The full InChI is InChI=1S/C32H32F3N5O3/c1-4-17(13-37-29(41)20-10-21-14-40(31(34)35)39-26(21)22(11-20)18-5-6-18)25-12-23-28(43-15-32(23,3)30(36)42)27(38-25)19-7-8-24(33)16(2)9-19/h7-12,14,17-18,31H,4-6,13,15H2,1-3H3,(H2,36,42)(H,37,41)/t17?,32-/m0/s1.
What are the key properties of (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 591.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[1-[[7-cyclopropyl-2-(difluoromethyl)indazole-5-carbonyl]amino]butan-2-yl]-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164910430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).