1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide

C16H18N8O — CID 45486137

IUPAC1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)CC1
InChIInChI=1S/C16H18N8O/c17-14-13(16-19-4-1-5-24(16)22-14)11-8-12(21-9-20-11)23-6-2-10(3-7-23)15(18)25/h1,4-5,8-10H,2-3,6-7H2,(H2,17,22)(H2,18,25)
InChIKeyYNYGFIMGZVTXSV-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.47
Rot. Bonds3

About 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide

1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 45486137) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID45486137
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)CC1
InChIInChI=1S/C16H18N8O/c17-14-13(16-19-4-1-5-24(16)22-14)11-8-12(21-9-20-11)23-6-2-10(3-7-23)15(18)25/h1,4-5,8-10H,2-3,6-7H2,(H2,17,22)(H2,18,25)
InChIKeyYNYGFIMGZVTXSV-UHFFFAOYSA-N
XLogP0.47
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 45486137) is 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)CC1.
What is the InChIKey of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is YNYGFIMGZVTXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c17-14-13(16-19-4-1-5-24(16)22-14)11-8-12(21-9-20-11)23-6-2-10(3-7-23)15(18)25/h1,4-5,8-10H,2-3,6-7H2,(H2,17,22)(H2,18,25).
What are the key properties of 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 45486137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).