1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

C18H19ClN6O — CID 17017529

IUPAC1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1Cl
InChIInChI=1S/C18H19ClN6O/c1-11-2-3-13(8-15(11)19)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)
InChIKeyTZWVNNKIJVJQRD-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.48
Rot. Bonds3

About 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 17017529) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID17017529
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1Cl
InChIInChI=1S/C18H19ClN6O/c1-11-2-3-13(8-15(11)19)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)
InChIKeyTZWVNNKIJVJQRD-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 17017529) is 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is TZWVNNKIJVJQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-11-2-3-13(8-15(11)19)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-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[1-(3-chloro-4-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-(3-chloro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).