N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C20H19ClF2N4O — CID 19499540

IUPACN-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2Cl)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C20H19ClF2N4O/c1-11-18-14(19(22)23)8-16(12-6-7-12)25-20(18)27(26-11)10-17(28)24-9-13-4-2-3-5-15(13)21/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,24,28)
InChIKeyNVQMCCNOSVSVAF-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.52
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19499540) has the molecular formula C20H19ClF2N4O and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19499540
Molecular FormulaC20H19ClF2N4O
Molecular Weight404.85 g/mol
Exact Mass404.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2Cl)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C20H19ClF2N4O/c1-11-18-14(19(22)23)8-16(12-6-7-12)25-20(18)27(26-11)10-17(28)24-9-13-4-2-3-5-15(13)21/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,24,28)
InChIKeyNVQMCCNOSVSVAF-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-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

2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19499534
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]acetamide
CID 19499634
N-(3-chloro-4-fluorophenyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499512
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506
N-(2-adamantyl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19499552
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19497310
1-(4-benzylpiperazin-1-yl)-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 19499475
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19499621
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19499556
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19503595
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(1-pyrazol-1-ylpropan-2-yl)acetamide
CID 19499702
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19499629

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19499540) is N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)NCc2ccccc2Cl)c2nc(C3CC3)cc(C(F)F)c12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is NVQMCCNOSVSVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O/c1-11-18-14(19(22)23)8-16(12-6-7-12)25-20(18)27(26-11)10-17(28)24-9-13-4-2-3-5-15(13)21/h2-5,8,12,19H,6-7,9-10H2,1H3,(H,24,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 404.85 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19499540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).