(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one

C16H20N4O — CID 28871514

IUPAC(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCC[C@H](Nc1ccccc1)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H20N4O/c1-2-14(18-13-6-4-3-5-7-13)16(21)20-9-8-15-12(11-20)10-17-19-15/h3-7,10,14,18H,2,8-9,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyKIJXWIUMSUWUHL-AWEZNQCLSA-N
MW284.36 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one

(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one (PubChem CID 28871514) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
PubChem CID28871514
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCC[C@H](Nc1ccccc1)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H20N4O/c1-2-14(18-13-6-4-3-5-7-13)16(21)20-9-8-15-12(11-20)10-17-19-15/h3-7,10,14,18H,2,8-9,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyKIJXWIUMSUWUHL-AWEZNQCLSA-N
XLogP2.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one 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

(2S)-2-methyl-4-phenoxy-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 95904770
2-amino-2-(4-phenylphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 167814571
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 154840919
N-[(1S)-1-thiophen-2-ylpropyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 126453676
formic acid;N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 175926714
(2S)-2-(3,4-dimethoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 96528819
2-(2-propan-2-ylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 155945432
4-carbamimidoyl-N-[(2S)-1-oxo-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-2-yl]benzamide
CID 141006224
(2S)-2-[(1R,3S)-3-methylcyclohexyl]oxy-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 96556590
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 99936128
1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
CID 86859714
3-(3-phenylphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 103598885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The IUPAC name of (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one (CID 28871514) is (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one is CC[C@H](Nc1ccccc1)C(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The InChIKey is KIJXWIUMSUWUHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-14(18-13-6-4-3-5-7-13)16(21)20-9-8-15-12(11-20)10-17-19-15/h3-7,10,14,18H,2,8-9,11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
(2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one has a molecular weight of 284.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 28871514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).