3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide

C18H13F2N7O — CID 123966097

IUPAC3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1cc2c(cn1)cnn2Cc1cc(F)ccc1F
InChIInChI=1S/C18H13F2N7O/c19-12-1-2-13(20)10(5-12)9-27-14-6-15(24-7-11(14)8-25-27)26-18-16(17(21)28)22-3-4-23-18/h1-8H,9H2,(H2,21,28)(H,23,24,26)
InChIKeyZJZYAAHZPSKQKY-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.39
Rot. Bonds5

About 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide

3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide (PubChem CID 123966097) has the molecular formula C18H13F2N7O and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide
PubChem CID123966097
Molecular FormulaC18H13F2N7O
Molecular Weight381.35 g/mol
Exact Mass381.11
IUPAC Name3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Nc1cc2c(cn1)cnn2Cc1cc(F)ccc1F
InChIInChI=1S/C18H13F2N7O/c19-12-1-2-13(20)10(5-12)9-27-14-6-15(24-7-11(14)8-25-27)26-18-16(17(21)28)22-3-4-23-18/h1-8H,9H2,(H2,21,28)(H,23,24,26)
InChIKeyZJZYAAHZPSKQKY-UHFFFAOYSA-N
XLogP2.39
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-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 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide (CID 123966097) is 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide is NC(=O)c1nccnc1Nc1cc2c(cn1)cnn2Cc1cc(F)ccc1F.
What is the InChIKey of 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide?
The InChIKey is ZJZYAAHZPSKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N7O/c19-12-1-2-13(20)10(5-12)9-27-14-6-15(24-7-11(14)8-25-27)26-18-16(17(21)28)22-3-4-23-18/h1-8H,9H2,(H2,21,28)(H,23,24,26).
What are the key properties of 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide?
3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2,5-difluorophenyl)methyl]pyrazolo[4,3-c]pyridin-6-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 123966097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).