N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C19H23F2N7O2 — CID 170576964

IUPACN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOCCN(C)c1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C19H23F2N7O2/c1-11-8-16(25-18(23-11)19(3,20)21)28-14-9-15(24-12(2)29)22-10-13(14)17(26-28)27(4)6-7-30-5/h8-10H,6-7H2,1-5H3,(H,22,24,29)
InChIKeyZIEVKQDHNRPVQH-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.67
Rot. Bonds7

About N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170576964) has the molecular formula C19H23F2N7O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170576964
Molecular FormulaC19H23F2N7O2
Molecular Weight419.44 g/mol
Exact Mass419.19
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCOCCN(C)c1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C19H23F2N7O2/c1-11-8-16(25-18(23-11)19(3,20)21)28-14-9-15(24-12(2)29)22-10-13(14)17(26-28)27(4)6-7-30-5/h8-10H,6-7H2,1-5H3,(H,22,24,29)
InChIKeyZIEVKQDHNRPVQH-UHFFFAOYSA-N
XLogP2.67
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170577523
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282300
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577651
N-[3-cyclopropyl-1-[2-(1,1-difluoroethyl)-6-[(3-methoxycyclobutyl)methoxy]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577207
benzyl N-[1-[6-acetamido-1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 175955973
N-[1-[6-(1,1-difluoroethyl)-4-(2-methoxyethoxy)-2-pyridinyl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577909
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
CID 170576876
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719
N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577618
N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577794
N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170577490
N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576913

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170576964) is N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide is COCCN(C)c1nn(-c2cc(C)nc(C(C)(F)F)n2)c2cc(NC(C)=O)ncc12.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is ZIEVKQDHNRPVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O2/c1-11-8-16(25-18(23-11)19(3,20)21)28-14-9-15(24-12(2)29)22-10-13(14)17(26-28)27(4)6-7-30-5/h8-10H,6-7H2,1-5H3,(H,22,24,29).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).