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

C18H20N6O — CID 7205603

IUPAC1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1
InChIInChI=1S/C18H20N6O/c1-12-2-4-14(5-3-12)24-18-15(10-22-24)17(20-11-21-18)23-8-6-13(7-9-23)16(19)25/h2-5,10-11,13H,6-9H2,1H3,(H2,19,25)
InChIKeyVWCDWUQKHYYSSR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.83
Rot. Bonds3

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

1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 7205603) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID7205603
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1
InChIInChI=1S/C18H20N6O/c1-12-2-4-14(5-3-12)24-18-15(10-22-24)17(20-11-21-18)23-8-6-13(7-9-23)16(19)25/h2-5,10-11,13H,6-9H2,1H3,(H2,19,25)
InChIKeyVWCDWUQKHYYSSR-UHFFFAOYSA-N
XLogP1.83
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 17017529
1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 17017352
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
ethyl 4-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 16819562
N-[4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 72550974
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 7205603) is 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VWCDWUQKHYYSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-2-4-14(5-3-12)24-18-15(10-22-24)17(20-11-21-18)23-8-6-13(7-9-23)16(19)25/h2-5,10-11,13H,6-9H2,1H3,(H2,19,25).
What are the key properties of 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 7205603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).