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

C28H23ClF6N4O4 — CID 168823477

IUPACN-[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
SMILESCOc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2cc(C(F)F)nnc12
InChIInChI=1S/C28H23ClF6N4O4/c1-26(2,41)17-11-20(37-23(21(17)29)13-4-6-16(30)7-5-13)27(42,28(33,34)35)12-36-25(40)15-8-14-9-18(24(31)32)38-39-22(14)19(10-15)43-3/h4-11,24,41-42H,12H2,1-3H3,(H,36,40)
InChIKeyCBFGAQNZTMFVNL-UHFFFAOYSA-N
MW628.96 g/mol
LogP5.84
Rot. Bonds8

About 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

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 (PubChem CID 168823477) has the molecular formula C28H23ClF6N4O4 and a molecular weight of 628.96 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]-3-(difluoromethyl)-8-methoxycinnoline-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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide
PubChem CID168823477
Molecular FormulaC28H23ClF6N4O4
Molecular Weight628.96 g/mol
Exact Mass628.13
IUPAC NameN-[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
SMILESCOc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2cc(C(F)F)nnc12
InChIInChI=1S/C28H23ClF6N4O4/c1-26(2,41)17-11-20(37-23(21(17)29)13-4-6-16(30)7-5-13)27(42,28(33,34)35)12-36-25(40)15-8-14-9-18(24(31)32)38-39-22(14)19(10-15)43-3/h4-11,24,41-42H,12H2,1-3H3,(H,36,40)
InChIKeyCBFGAQNZTMFVNL-UHFFFAOYSA-N
XLogP5.84
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.96
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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-[(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-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
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-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2,4-dihydroxypentyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide
CID 168861278
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
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
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 156872774
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

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]-3-(difluoromethyl)-8-methoxycinnoline-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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide (CID 168823477) is 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.
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]-3-(difluoromethyl)-8-methoxycinnoline-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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide is COc1cc(C(=O)NCC(O)(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C(F)(F)F)cc2cc(C(F)F)nnc12.
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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide?
The InChIKey is CBFGAQNZTMFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF6N4O4/c1-26(2,41)17-11-20(37-23(21(17)29)13-4-6-16(30)7-5-13)27(42,28(33,34)35)12-36-25(40)15-8-14-9-18(24(31)32)38-39-22(14)19(10-15)43-3/h4-11,24,41-42H,12H2,1-3H3,(H,36,40).
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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide?
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 has a molecular weight of 628.96 g/mol, XLogP of 5.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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]-3-(difluoromethyl)-8-methoxycinnoline-6-carboxamide is sourced from PubChem (CID 168823477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).