6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

C24H22F3N5 — CID 166072855

IUPAC6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cnn3cc(CN4CCC(c5ccccc5)CC4)cnc23)ccn1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)22-12-20(6-9-28-22)21-14-30-32-16-17(13-29-23(21)32)15-31-10-7-19(8-11-31)18-4-2-1-3-5-18/h1-6,9,12-14,16,19H,7-8,10-11,15H2
InChIKeyBQFJHFCZPYAHFQ-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.19
Rot. Bonds4

About 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine

6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 166072855) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID166072855
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2cnn3cc(CN4CCC(c5ccccc5)CC4)cnc23)ccn1
InChIInChI=1S/C24H22F3N5/c25-24(26,27)22-12-20(6-9-28-22)21-14-30-32-16-17(13-29-23(21)32)15-31-10-7-19(8-11-31)18-4-2-1-3-5-18/h1-6,9,12-14,16,19H,7-8,10-11,15H2
InChIKeyBQFJHFCZPYAHFQ-UHFFFAOYSA-N
XLogP5.19
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 166072855) is 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2cnn3cc(CN4CCC(c5ccccc5)CC4)cnc23)ccn1.
What is the InChIKey of 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BQFJHFCZPYAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c25-24(26,27)22-12-20(6-9-28-22)21-14-30-32-16-17(13-29-23(21)32)15-31-10-7-19(8-11-31)18-4-2-1-3-5-18/h1-6,9,12-14,16,19H,7-8,10-11,15H2.
What are the key properties of 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 437.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylpiperidin-1-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166072855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).