6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

C26H26ClF2N7O — CID 142478487

IUPAC6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H26ClF2N7O/c1-16(25-30-8-3-9-31-25)33-20-14-24(37)35(2)22-5-4-17(12-18(20)22)34-21-13-23(32-15-19(21)27)36-10-6-26(28,29)7-11-36/h3-5,8-9,12-16,33H,6-7,10-11H2,1-2H3,(H,32,34)
InChIKeyCMNWEMLQYLCBKB-UHFFFAOYSA-N
MW525.99 g/mol
LogP5.53
Rot. Bonds6

About 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one

6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (PubChem CID 142478487) has the molecular formula C26H26ClF2N7O and a molecular weight of 525.99 g/mol. Its IUPAC name is 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
PubChem CID142478487
Molecular FormulaC26H26ClF2N7O
Molecular Weight525.99 g/mol
Exact Mass525.19
IUPAC Name6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
SMILESCC(Nc1cc(=O)n(C)c2ccc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)cc12)c1ncccn1
InChIInChI=1S/C26H26ClF2N7O/c1-16(25-30-8-3-9-31-25)33-20-14-24(37)35(2)22-5-4-17(12-18(20)22)34-21-13-23(32-15-19(21)27)36-10-6-26(28,29)7-11-36/h3-5,8-9,12-16,33H,6-7,10-11H2,1-2H3,(H,32,34)
InChIKeyCMNWEMLQYLCBKB-UHFFFAOYSA-N
XLogP5.53
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.99
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one with MolForge

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Related Compounds

5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
Pyrido[2,3-d]pyrimidin-7-one 24
CID 5330351
2-Chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385343
2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385752
2-Chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
CID 135385909
N-(trans-4-(3-(2-Chlorophenyl)-7-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)cyclohexyl)propionamide
CID 137628688
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
N-[3-[[[5-chloro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475667
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
3-(2-chlorophenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 137638089
N-[4-[5-methyl-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide
CID 164624240
4-[(3-chloro-N-(2-methylpyrimidin-4-yl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57393301

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The IUPAC name of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one (CID 142478487) is 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is CC(Nc1cc(=O)n(C)c2ccc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)cc12)c1ncccn1.
What is the InChIKey of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
The InChIKey is CMNWEMLQYLCBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N7O/c1-16(25-30-8-3-9-31-25)33-20-14-24(37)35(2)22-5-4-17(12-18(20)22)34-21-13-23(32-15-19(21)27)36-10-6-26(28,29)7-11-36/h3-5,8-9,12-16,33H,6-7,10-11H2,1-2H3,(H,32,34).
What are the key properties of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one?
6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one has a molecular weight of 525.99 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one is sourced from PubChem (CID 142478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).