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

C25H23FN4O — CID 46167886

IUPAC(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(-c3ccccc3F)ccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(17-28-30(23)24)25(31)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,17,19H,11-12,14-16H2
InChIKeyTWKYQWRBANHVIQ-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.63
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 46167886) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID46167886
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1cnn2c(-c3ccccc3F)ccnc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H23FN4O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(17-28-30(23)24)25(31)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,17,19H,11-12,14-16H2
InChIKeyTWKYQWRBANHVIQ-UHFFFAOYSA-N
XLogP4.63
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
(4-benzylpiperidin-1-yl)-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 39004541
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19327477
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
7-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 103200682
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997013
(4-benzylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 59011454

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 46167886) is (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1cnn2c(-c3ccccc3F)ccnc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is TWKYQWRBANHVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-22-9-5-4-8-20(22)23-10-13-27-24-21(17-28-30(23)24)25(31)29-14-11-19(12-15-29)16-18-6-2-1-3-7-18/h1-10,13,17,19H,11-12,14-16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 414.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 46167886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).