N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide

C29H24ClF6N3O4 — CID 168823493

IUPACN-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2ccc(C(F)F)nc12
InChIInChI=1S/C29H24ClF6N3O4/c1-27(2,41)18-12-21(39-24(22(18)30)14-4-7-17(31)8-5-14)28(42,29(34,35)36)13-37-26(40)16-10-15-6-9-19(25(32)33)38-23(15)20(11-16)43-3/h4-12,25,41-42H,13H2,1-3H3,(H,37,40)
InChIKeyAKMBTBJWKYBHKL-UHFFFAOYSA-N
MW627.97 g/mol
LogP6.44
Rot. Bonds8

About N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide

N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide (PubChem CID 168823493) has the molecular formula C29H24ClF6N3O4 and a molecular weight of 627.97 g/mol. Its IUPAC name is N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
PubChem CID168823493
Molecular FormulaC29H24ClF6N3O4
Molecular Weight627.97 g/mol
Exact Mass627.14
IUPAC NameN-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2ccc(C(F)F)nc12
InChIInChI=1S/C29H24ClF6N3O4/c1-27(2,41)18-12-21(39-24(22(18)30)14-4-7-17(31)8-5-14)28(42,29(34,35)36)13-37-26(40)16-10-15-6-9-19(25(32)33)38-23(15)20(11-16)43-3/h4-12,25,41-42H,13H2,1-3H3,(H,37,40)
InChIKeyAKMBTBJWKYBHKL-UHFFFAOYSA-N
XLogP6.44
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.97
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide
CID 168823477
N-[3,3-difluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxybutyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 166807720
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-(trifluoromethyl)cinnoline-6-carboxamide
CID 175351664
N-[2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-fluoro-8-methoxy-3-methylquinoline-6-carboxamide
CID 168823509
8-methoxy-3-methyl-N-[3,3,3-trifluoro-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-phenyl-2-pyridinyl]-2-hydroxypropyl]cinnoline-6-carboxamide
CID 168861256
N-[(2S)-2-[5-chloro-3-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 156896042
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-cyclopropylethyl]-2-fluoro-8-methoxy-3-methylquinoline-6-carboxamide
CID 166807792
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide
CID 168861278
8-methoxy-N-[3,3,3-trifluoro-2-[(3R)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
CID 166783151
8-methoxy-N-[3,3,3-trifluoro-2-[(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinazoline-6-carboxamide
CID 166783154
5-[3-[[3-(difluoromethyl)-8-methoxyquinoline-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 156873001
N-[(2S)-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 168823658

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?
The IUPAC name of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide (CID 168823493) is N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide.
What is the SMILES notation for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?
The canonical SMILES for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide is COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2ccc(C(F)F)nc12.
What is the InChIKey of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?
The InChIKey is AKMBTBJWKYBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF6N3O4/c1-27(2,41)18-12-21(39-24(22(18)30)14-4-7-17(31)8-5-14)28(42,29(34,35)36)13-37-26(40)16-10-15-6-9-19(25(32)33)38-23(15)20(11-16)43-3/h4-12,25,41-42H,13H2,1-3H3,(H,37,40).
What are the key properties of N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide?
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide has a molecular weight of 627.97 g/mol, XLogP of 6.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(difluoromethyl)-8-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 168823493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).