3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide

C19H24N4O3 — CID 166380494

IUPAC3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1CCCN1C(=O)Cc1[nH]nc2ccccc12)C1CC(O)C1
InChIInChI=1S/C19H24N4O3/c24-14-8-12(9-14)19(26)20-11-13-4-3-7-23(13)18(25)10-17-15-5-1-2-6-16(15)21-22-17/h1-2,5-6,12-14,24H,3-4,7-11H2,(H,20,26)(H,21,22)
InChIKeyINEBFBQUMIOABK-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.98
Rot. Bonds5

About 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide

3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 166380494) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
PubChem CID166380494
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCC1CCCN1C(=O)Cc1[nH]nc2ccccc12)C1CC(O)C1
InChIInChI=1S/C19H24N4O3/c24-14-8-12(9-14)19(26)20-11-13-4-3-7-23(13)18(25)10-17-15-5-1-2-6-16(15)21-22-17/h1-2,5-6,12-14,24H,3-4,7-11H2,(H,20,26)(H,21,22)
InChIKeyINEBFBQUMIOABK-UHFFFAOYSA-N
XLogP0.98
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide 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

1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 52528825
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 97017462
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2H-indazol-3-yl)ethanone
CID 172897236
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide (CID 166380494) is 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide is O=C(NCC1CCCN1C(=O)Cc1[nH]nc2ccccc12)C1CC(O)C1.
What is the InChIKey of 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is INEBFBQUMIOABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-14-8-12(9-14)19(26)20-11-13-4-3-7-23(13)18(25)10-17-15-5-1-2-6-16(15)21-22-17/h1-2,5-6,12-14,24H,3-4,7-11H2,(H,20,26)(H,21,22).
What are the key properties of 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide?
3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[1-[2-(2H-indazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166380494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).