1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

C18H19ClN6O — CID 17017352

IUPAC1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21
InChIInChI=1S/C18H19ClN6O/c1-11-8-13(19)2-3-15(11)25-18-14(9-23-25)17(21-10-22-18)24-6-4-12(5-7-24)16(20)26/h2-3,8-10,12H,4-7H2,1H3,(H2,20,26)
InChIKeyNFQPNXKQDJLBIY-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.48
Rot. Bonds3

About 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 17017352) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID17017352
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21
InChIInChI=1S/C18H19ClN6O/c1-11-8-13(19)2-3-15(11)25-18-14(9-23-25)17(21-10-22-18)24-6-4-12(5-7-24)16(20)26/h2-3,8-10,12H,4-7H2,1H3,(H2,20,26)
InChIKeyNFQPNXKQDJLBIY-UHFFFAOYSA-N
XLogP2.48
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938
N'-[1-(3-chloro-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]acetohydrazide
CID 16194332
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 866540
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
CID 2940041
1-(4-Chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 3578502
ethyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-1-piperidinecarboxylate
CID 1314791
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4138917
N4-(4-chlorophenyl)-N6,N6-diethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545974
N-[3-[4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]butanamide
CID 9604929
1-[8-Chloro-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-5-yl]ethanone
CID 10345610

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 17017352) is 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is Cc1cc(Cl)ccc1-n1ncc2c(N3CCC(C(N)=O)CC3)ncnc21.
What is the InChIKey of 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NFQPNXKQDJLBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-11-8-13(19)2-3-15(11)25-18-14(9-23-25)17(21-10-22-18)24-6-4-12(5-7-24)16(20)26/h2-3,8-10,12H,4-7H2,1H3,(H2,20,26).
What are the key properties of 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17017352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).