(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C23H22N4OS — CID 39004541

IUPAC(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3cccs3)ccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H22N4OS/c28-23(26-12-9-18(10-13-26)15-17-5-2-1-3-6-17)19-16-25-27-20(8-11-24-22(19)27)21-7-4-14-29-21/h1-8,11,14,16,18H,9-10,12-13,15H2
InChIKeySUHGLZCDPBVSHH-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.55
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 39004541) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID39004541
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnn2c(-c3cccs3)ccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H22N4OS/c28-23(26-12-9-18(10-13-26)15-17-5-2-1-3-6-17)19-16-25-27-20(8-11-24-22(19)27)21-7-4-14-29-21/h1-8,11,14,16,18H,9-10,12-13,15H2
InChIKeySUHGLZCDPBVSHH-UHFFFAOYSA-N
XLogP4.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46167886
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 19323677
(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329668
7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 7016450
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
2-(7-fluoroquinolin-6-yl)-N-[4-[1-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]phenyl]acetamide
CID 171685178
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188
N-(3-morpholin-4-ylpropyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416688
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 39004541) is (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1cnn2c(-c3cccs3)ccnc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is SUHGLZCDPBVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c28-23(26-12-9-18(10-13-26)15-17-5-2-1-3-6-17)19-16-25-27-20(8-11-24-22(19)27)21-7-4-14-29-21/h1-8,11,14,16,18H,9-10,12-13,15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 402.52 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 39004541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).