N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide

C32H28F4N4O5 — CID 166688364

IUPACN-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3[nH]c(=O)ccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O5/c33-20-6-1-16(2-7-20)27-28-22(31(37,15-44-28)32(34,35)36)13-24(39-27)30(43,19-4-5-19)14-38-29(42)18-11-17-3-10-25(41)40-26(17)23(12-18)45-21-8-9-21/h1-3,6-7,10-13,19,21,43H,4-5,8-9,14-15,37H2,(H,38,42)(H,40,41)/t30?,31-/m0/s1
InChIKeyDPMQZBLBPUHVOJ-FLDQDSGZSA-N
MW624.59 g/mol
LogP4.41
Rot. Bonds8

About N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide

N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide (PubChem CID 166688364) has the molecular formula C32H28F4N4O5 and a molecular weight of 624.59 g/mol. Its IUPAC name is N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide
PubChem CID166688364
Molecular FormulaC32H28F4N4O5
Molecular Weight624.59 g/mol
Exact Mass624.20
IUPAC NameN-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide
SMILESN[C@@]1(C(F)(F)F)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3[nH]c(=O)ccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C32H28F4N4O5/c33-20-6-1-16(2-7-20)27-28-22(31(37,15-44-28)32(34,35)36)13-24(39-27)30(43,19-4-5-19)14-38-29(42)18-11-17-3-10-25(41)40-26(17)23(12-18)45-21-8-9-21/h1-3,6-7,10-13,19,21,43H,4-5,8-9,14-15,37H2,(H,38,42)(H,40,41)/t30?,31-/m0/s1
InChIKeyDPMQZBLBPUHVOJ-FLDQDSGZSA-N
XLogP4.41
TPSA139.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.59
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3,4-dicyclopropyloxybenzamide
CID 165436687
2-amino-N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-1,3-benzothiazole-6-carboxamide
CID 166688128
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706
N-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-methoxy-1,3-benzoxazole-6-carboxamide
CID 166688108
N-[2-[3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3,4-dicyclopropyloxybenzamide
CID 166680777
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-1,3-benzoxazole-6-carboxamide
CID 166688164
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[2-[(3R)-3-amino-7-(4-methylphenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3-fluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166688293
N-[(2S)-2-[(3R)-3-[amino-[(Z)-2-aminoethenyl]amino]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-7-methoxy-2-methylindazole-5-carboxamide
CID 167024177
N-[2-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 166667153
[2-[(Z)-2-amino-3,3-difluoroprop-1-enyl]-4-[[(2S)-2-[(3R)-3-carbamoyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]carbamoyl]-6-methoxyphenyl]azanium
CID 164911017
5-[3-[[8-cyclopropyloxy-2-(hydroxymethyl)quinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783040

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide (CID 166688364) is N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide is N[C@@]1(C(F)(F)F)COc2c1cc(C(O)(CNC(=O)c1cc(OC3CC3)c3[nH]c(=O)ccc3c1)C1CC1)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide?
The InChIKey is DPMQZBLBPUHVOJ-FLDQDSGZSA-N. The full InChI is InChI=1S/C32H28F4N4O5/c33-20-6-1-16(2-7-20)27-28-22(31(37,15-44-28)32(34,35)36)13-24(39-27)30(43,19-4-5-19)14-38-29(42)18-11-17-3-10-25(41)40-26(17)23(12-18)45-21-8-9-21/h1-3,6-7,10-13,19,21,43H,4-5,8-9,14-15,37H2,(H,38,42)(H,40,41)/t30?,31-/m0/s1.
What are the key properties of N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide?
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide has a molecular weight of 624.59 g/mol, XLogP of 4.41, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-cyclopropyloxy-2-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 166688364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).