(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(5-Cyclopropyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-piperidin-1-yl)-methanone
CID 1164878
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 57393122
Cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214032
5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
1-Cyclopentyl-3-ethyl-6-pyridin-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10757343
N-methyl-6-[(5-methyl-1H-pyrazol-1-yl)acetyl]-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72870385
US11186582, Example 385
CID 118471499
US11186582, Example 409
CID 118471562
US11186582, Example 437
CID 118472497
US11186582, Example 411
CID 118472614
(6-Phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 135300270

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).