N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide

C21H18F2N6O2 — CID 74538924

IUPACN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C21H18F2N6O2/c1-13-7-14(8-26-21(13)31-12-18(22)23)10-29-11-16-17(28-29)4-6-25-19(16)27-20(30)15-3-2-5-24-9-15/h2-9,11,18H,10,12H2,1H3,(H,25,27,30)
InChIKeyKZCRMKUQWJTOGL-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide

N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide (PubChem CID 74538924) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
PubChem CID74538924
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC NameN-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)F
InChIInChI=1S/C21H18F2N6O2/c1-13-7-14(8-26-21(13)31-12-18(22)23)10-29-11-16-17(28-29)4-6-25-19(16)27-20(30)15-3-2-5-24-9-15/h2-9,11,18H,10,12H2,1H3,(H,25,27,30)
InChIKeyKZCRMKUQWJTOGL-UHFFFAOYSA-N
XLogP3.47
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-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 N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide (CID 74538924) is N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide is Cc1cc(Cn2cc3c(NC(=O)c4cccnc4)nccc3n2)cnc1OCC(F)F.
What is the InChIKey of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide?
The InChIKey is KZCRMKUQWJTOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-13-7-14(8-26-21(13)31-12-18(22)23)10-29-11-16-17(28-29)4-6-25-19(16)27-20(30)15-3-2-5-24-9-15/h2-9,11,18H,10,12H2,1H3,(H,25,27,30).
What are the key properties of N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide?
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 74538924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).