(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C16H22N4O — CID 53040896

IUPAC(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(C(C)C)n3nccc3n2)C1
InChIInChI=1S/C16H22N4O/c1-11(2)14-9-13(18-15-6-7-17-20(14)15)16(21)19-8-4-5-12(3)10-19/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyDJRMMKOMEIJKQF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040896) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040896
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(C(C)C)n3nccc3n2)C1
InChIInChI=1S/C16H22N4O/c1-11(2)14-9-13(18-15-6-7-17-20(14)15)16(21)19-8-4-5-12(3)10-19/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyDJRMMKOMEIJKQF-UHFFFAOYSA-N
XLogP2.72
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040896) is (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is CC1CCCN(C(=O)c2cc(C(C)C)n3nccc3n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is DJRMMKOMEIJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)14-9-13(18-15-6-7-17-20(14)15)16(21)19-8-4-5-12(3)10-19/h6-7,9,11-12H,4-5,8,10H2,1-3H3.
What are the key properties of (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
(3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).