5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide

C19H19F2N7O — CID 166298631

IUPAC5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)ccn1)c1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C19H19F2N7O/c20-18(21)17-15(12-25-28(17)13-1-4-22-5-2-13)19(29)26-16-11-14(3-6-24-16)27-9-7-23-8-10-27/h1-6,11-12,18,23H,7-10H2,(H,24,26,29)
InChIKeyIHBCBZYZQFZMKZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.26
Rot. Bonds5

About 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide

5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 166298631) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID166298631
Molecular FormulaC19H19F2N7O
Molecular Weight399.41 g/mol
Exact Mass399.16
IUPAC Name5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)ccn1)c1cnn(-c2ccncc2)c1C(F)F
InChIInChI=1S/C19H19F2N7O/c20-18(21)17-15(12-25-28(17)13-1-4-22-5-2-13)19(29)26-16-11-14(3-6-24-16)27-9-7-23-8-10-27/h1-6,11-12,18,23H,7-10H2,(H,24,26,29)
InChIKeyIHBCBZYZQFZMKZ-UHFFFAOYSA-N
XLogP2.26
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide 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 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide (CID 166298631) is 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide is O=C(Nc1cc(N2CCNCC2)ccn1)c1cnn(-c2ccncc2)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is IHBCBZYZQFZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c20-18(21)17-15(12-25-28(17)13-1-4-22-5-2-13)19(29)26-16-11-14(3-6-24-16)27-9-7-23-8-10-27/h1-6,11-12,18,23H,7-10H2,(H,24,26,29).
What are the key properties of 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide?
5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 166298631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).