1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C26H29ClN8O2 — CID 142478362

IUPAC1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC3(C#N)CC3)cc(=O)n4C)n2)CC1
InChIInChI=1S/C26H29ClN8O2/c1-33(2)24(37)16-6-10-35(11-7-16)25-29-14-19(27)23(31-25)30-17-4-5-21-18(12-17)20(13-22(36)34(21)3)32-26(15-28)8-9-26/h4-5,12-14,16,32H,6-11H2,1-3H3,(H,29,30,31)
InChIKeyHHPFONMVZZDLBP-UHFFFAOYSA-N
MW521.03 g/mol
LogP3.50
Rot. Bonds6

About 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 142478362) has the molecular formula C26H29ClN8O2 and a molecular weight of 521.03 g/mol. Its IUPAC name is 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID142478362
Molecular FormulaC26H29ClN8O2
Molecular Weight521.03 g/mol
Exact Mass520.21
IUPAC Name1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC3(C#N)CC3)cc(=O)n4C)n2)CC1
InChIInChI=1S/C26H29ClN8O2/c1-33(2)24(37)16-6-10-35(11-7-16)25-29-14-19(27)23(31-25)30-17-4-5-21-18(12-17)20(13-22(36)34(21)3)32-26(15-28)8-9-26/h4-5,12-14,16,32H,6-11H2,1-3H3,(H,29,30,31)
InChIKeyHHPFONMVZZDLBP-UHFFFAOYSA-N
XLogP3.50
TPSA119.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.03
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[5-chloro-4-[[3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1-propan-2-ylquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 135137797
6-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-4-(1-pyrimidin-2-ylethylamino)quinolin-2-one
CID 135386592
9-[5-chloro-4-[[1-methyl-2-oxo-4-(1-pyrimidin-2-ylethylamino)quinolin-6-yl]amino]pyrimidin-2-yl]-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 135385349
6-[[5-chloro-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-4-yl]amino]-1-methyl-4-[[(1S)-1-pyrimidin-2-ylethyl]amino]quinolin-2-one
CID 156571026
6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-oxopentyl)quinolin-2-one;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
CID 167612831
(2S)-10-[[5-chloro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 176936327
6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinazolin-2-one
CID 162472418
(2S)-10-[[5-chloro-2-(3-hydroxy-3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
CID 171740089
6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyquinolin-2-one
CID 165380122
2-[6-[[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137742
2-[6-[[5-chloro-2-(4-fluoroazepan-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
CID 135137511
6-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]-1-methyl-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-2-one
CID 142478321

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 142478362) is 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ncc(Cl)c(Nc3ccc4c(c3)c(NC3(C#N)CC3)cc(=O)n4C)n2)CC1.
What is the InChIKey of 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is HHPFONMVZZDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O2/c1-33(2)24(37)16-6-10-35(11-7-16)25-29-14-19(27)23(31-25)30-17-4-5-21-18(12-17)20(13-22(36)34(21)3)32-26(15-28)8-9-26/h4-5,12-14,16,32H,6-11H2,1-3H3,(H,29,30,31).
What are the key properties of 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 521.03 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-[[4-[(1-cyanocyclopropyl)amino]-1-methyl-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 142478362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).