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

C16H22N4O — CID 53040855

IUPAC(4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4O/c1-11(2)14-10-13(18-15-4-7-17-20(14)15)16(21)19-8-5-12(3)6-9-19/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyKUFCOPSCFWBVSY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

(4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040855) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040855
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4O/c1-11(2)14-10-13(18-15-4-7-17-20(14)15)16(21)19-8-5-12(3)6-9-19/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyKUFCOPSCFWBVSY-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 (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040855) is (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is CC1CCN(C(=O)c2cc(C(C)C)n3nccc3n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is KUFCOPSCFWBVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)14-10-13(18-15-4-7-17-20(14)15)16(21)19-8-5-12(3)6-9-19/h4,7,10-12H,5-6,8-9H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
(4-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 (4-methylpiperidin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).