6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C20H24ClN7O — CID 11223713

IUPAC6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Cl)c(=O)n(C(C)C)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12
InChIInChI=1S/C20H24ClN7O/c1-12(2)28-18-15(13(3)17(21)19(28)29)11-24-20(26-18)25-14-4-5-16(23-10-14)27-8-6-22-7-9-27/h4-5,10-12,22H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyRZGWHKQRFXPQCW-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.88
Rot. Bonds4

About 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11223713) has the molecular formula C20H24ClN7O and a molecular weight of 413.91 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11223713
Molecular FormulaC20H24ClN7O
Molecular Weight413.91 g/mol
Exact Mass413.17
IUPAC Name6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Cl)c(=O)n(C(C)C)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12
InChIInChI=1S/C20H24ClN7O/c1-12(2)28-18-15(13(3)17(21)19(28)29)11-24-20(26-18)25-14-4-5-16(23-10-14)27-8-6-22-7-9-27/h4-5,10-12,22H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyRZGWHKQRFXPQCW-UHFFFAOYSA-N
XLogP2.88
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

7-cyclopentyl-N,N,5-trimethyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 129292960
5-[[5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66660070
2-(3-chloro-4-morpholin-4-ylanilino)-5-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 10223508
3-methyl-2,2-dioxo-N-(4-piperazin-1-ylphenyl)-1-propan-2-ylpyrimido[4,5-c]thiazin-7-amine
CID 10237895
1-(5-chloro-2-pyridinyl)-6-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536470
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
7-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-3,5-difluorophenyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 68991375
1-[6-[(1-oxothiolan-1-ylidene)amino]-2-pyridinyl]-6-(4-piperazin-1-ylanilino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 139389827
7-cyclopentyl-N,N,5-trimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 59290955
6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
CID 118189169
8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900
1-(5-fluoro-2-pyridinyl)-6-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138537127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 11223713) is 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is Cc1c(Cl)c(=O)n(C(C)C)c2nc(Nc3ccc(N4CCNCC4)nc3)ncc12.
What is the InChIKey of 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RZGWHKQRFXPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O/c1-12(2)28-18-15(13(3)17(21)19(28)29)11-24-20(26-18)25-14-4-5-16(23-10-14)27-8-6-22-7-9-27/h4-5,10-12,22H,6-9H2,1-3H3,(H,24,25,26).
What are the key properties of 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 413.91 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-[(6-piperazin-1-yl-3-pyridinyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11223713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).