2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide

C11H11ClF2N4O — CID 146095032

IUPAC2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide
SMILESCC(Cl)C(=O)Nc1cc2c(cnn2C)nc1C(F)F
InChIInChI=1S/C11H11ClF2N4O/c1-5(12)11(19)17-6-3-8-7(4-15-18(8)2)16-9(6)10(13)14/h3-5,10H,1-2H3,(H,17,19)
InChIKeyVDDXSHYETSVMKF-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide

2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide (PubChem CID 146095032) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide
PubChem CID146095032
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC Name2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide
SMILESCC(Cl)C(=O)Nc1cc2c(cnn2C)nc1C(F)F
InChIInChI=1S/C11H11ClF2N4O/c1-5(12)11(19)17-6-3-8-7(4-15-18(8)2)16-9(6)10(13)14/h3-5,10H,1-2H3,(H,17,19)
InChIKeyVDDXSHYETSVMKF-UHFFFAOYSA-N
XLogP2.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-azaspiro[5.5]undecan-11-yl)-5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 166276974
3-[2-[[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridine-6-carbonyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166424909
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
1,5-dimethyl-6-propan-2-ylpyrazolo[4,5-b]pyridine
CID 176694539
1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 138007998
N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide
CID 11564909
methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate
CID 172721526
3-methyl-N-(1-methylindazol-6-yl)butanamide
CID 110460673
1-N,4-N-bis[5-(difluoromethyl)-1-methylpyrazol-4-yl]benzene-1,4-dicarboxamide
CID 166188378
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
5-(1-fluoroethyl)-1-methylpyrazole-4-carboxamide
CID 70193697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide?
The IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide (CID 146095032) is 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide?
The canonical SMILES for 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide is CC(Cl)C(=O)Nc1cc2c(cnn2C)nc1C(F)F.
What is the InChIKey of 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide?
The InChIKey is VDDXSHYETSVMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c1-5(12)11(19)17-6-3-8-7(4-15-18(8)2)16-9(6)10(13)14/h3-5,10H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide?
2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide has a molecular weight of 288.69 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(difluoromethyl)-1-methylpyrazolo[4,5-b]pyridin-6-yl]propanamide is sourced from PubChem (CID 146095032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).