[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

C22H21F2N7O — CID 118471224

IUPAC[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cc(-c4ccccc4)nn3C)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C22H21F2N7O/c1-14-8-18(31-21(27-14)25-13-26-31)16-10-22(23,24)12-30(11-16)20(32)19-9-17(28-29(19)2)15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3
InChIKeyCRXJHBLNUKYCDP-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.10
Rot. Bonds3

About [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (PubChem CID 118471224) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
PubChem CID118471224
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCc1cc(C2CN(C(=O)c3cc(-c4ccccc4)nn3C)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C22H21F2N7O/c1-14-8-18(31-21(27-14)25-13-26-31)16-10-22(23,24)12-30(11-16)20(32)19-9-17(28-29(19)2)15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3
InChIKeyCRXJHBLNUKYCDP-UHFFFAOYSA-N
XLogP3.10
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (CID 118471224) is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is Cc1cc(C2CN(C(=O)c3cc(-c4ccccc4)nn3C)CC(F)(F)C2)n2ncnc2n1.
What is the InChIKey of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The InChIKey is CRXJHBLNUKYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O/c1-14-8-18(31-21(27-14)25-13-26-31)16-10-22(23,24)12-30(11-16)20(32)19-9-17(28-29(19)2)15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3.
What are the key properties of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone has a molecular weight of 437.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 118471224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).