(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide

C32H29F4N5O3 — CID 169241001

IUPAC(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)[C@@]1(C2CC2)COc2c1cc(C(CNC(=O)c1ccc3c(c1)C=C(C1CC1)NN3)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H29F4N5O3/c33-21-8-3-17(4-9-21)27-28-22(31(15-44-28,30(37)43)20-6-7-20)13-26(39-27)23(32(34,35)36)14-38-29(42)18-5-10-24-19(11-18)12-25(41-40-24)16-1-2-16/h3-5,8-13,16,20,23,40-41H,1-2,6-7,14-15H2,(H2,37,43)(H,38,42)/t23?,31-/m1/s1
InChIKeyJLIRACHCSOITEF-ORLYWQOISA-N
MW607.61 g/mol
LogP5.17
Rot. Bonds8

About (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169241001) has the molecular formula C32H29F4N5O3 and a molecular weight of 607.61 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID169241001
Molecular FormulaC32H29F4N5O3
Molecular Weight607.61 g/mol
Exact Mass607.22
IUPAC Name(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)[C@@]1(C2CC2)COc2c1cc(C(CNC(=O)c1ccc3c(c1)C=C(C1CC1)NN3)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H29F4N5O3/c33-21-8-3-17(4-9-21)27-28-22(31(15-44-28,30(37)43)20-6-7-20)13-26(39-27)23(32(34,35)36)14-38-29(42)18-5-10-24-19(11-18)12-25(41-40-24)16-1-2-16/h3-5,8-13,16,20,23,40-41H,1-2,6-7,14-15H2,(H2,37,43)(H,38,42)/t23?,31-/m1/s1
InChIKeyJLIRACHCSOITEF-ORLYWQOISA-N
XLogP5.17
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.61
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3R)-5-[3-[(7-bromo-2-cyclopropyl-3H-benzimidazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911510
(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911200
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241134
(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-methyl-1H-indazole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241567
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 156873029
(3R)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(4-fluoro-1H-indole-5-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910853
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156872961
3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide
CID 156872656
(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166782847
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872756
[(Z)-[3-[[(2S)-2-[(3R)-3-carbamoyl-3-cyclopropyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]carbamoyl]-5-chloro-6-iminocyclohexa-2,4-dien-1-ylidene]methyl]-cyclopropylazanium
CID 164910852
(3R)-5-[3-[[4-amino-3-(cyclopropyliminomethyl)-5-methoxybenzoyl]amino]-1,1,1-trifluoropropan-2-yl]-7-(3-cyclopropylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241013

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169241001) is (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is NC(=O)[C@@]1(C2CC2)COc2c1cc(C(CNC(=O)c1ccc3c(c1)C=C(C1CC1)NN3)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is JLIRACHCSOITEF-ORLYWQOISA-N. The full InChI is InChI=1S/C32H29F4N5O3/c33-21-8-3-17(4-9-21)27-28-22(31(15-44-28,30(37)43)20-6-7-20)13-26(39-27)23(32(34,35)36)14-38-29(42)18-5-10-24-19(11-18)12-25(41-40-24)16-1-2-16/h3-5,8-13,16,20,23,40-41H,1-2,6-7,14-15H2,(H2,37,43)(H,38,42)/t23?,31-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 607.61 g/mol, XLogP of 5.17, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-5-[3-[(3-cyclopropyl-1,2-dihydrocinnoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).