[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C24H21F2N5O — CID 3601473

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H21F2N5O/c25-22(26)21-13-19(16-7-2-1-3-8-16)29-23-18(15-28-31(21)23)24(32)30-12-5-4-10-20(30)17-9-6-11-27-14-17/h1-3,6-9,11,13-15,20,22H,4-5,10,12H2
InChIKeyJFGHHLMKYGRKPG-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.10
Rot. Bonds4

About [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 3601473) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID3601473
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H21F2N5O/c25-22(26)21-13-19(16-7-2-1-3-8-16)29-23-18(15-28-31(21)23)24(32)30-12-5-4-10-20(30)17-9-6-11-27-14-17/h1-3,6-9,11,13-15,20,22H,4-5,10,12H2
InChIKeyJFGHHLMKYGRKPG-UHFFFAOYSA-N
XLogP5.10
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 3601473) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is JFGHHLMKYGRKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-22(26)21-13-19(16-7-2-1-3-8-16)29-23-18(15-28-31(21)23)24(32)30-12-5-4-10-20(30)17-9-6-11-27-14-17/h1-3,6-9,11,13-15,20,22H,4-5,10,12H2.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 433.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 3601473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).