N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

C21H32N4O2 — CID 69085690

IUPACN-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCCC(O)(CC)CC1CC(NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C21H32N4O2/c1-5-21(27,6-2)12-15-11-16(13-22-15)23-20(26)19-17-9-7-8-10-18(17)25(24-19)14(3)4/h7-10,14-16,22,27H,5-6,11-13H2,1-4H3,(H,23,26)
InChIKeyBIRATPPIBVTVLX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.02
Rot. Bonds7

About N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 69085690) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID69085690
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCCC(O)(CC)CC1CC(NC(=O)c2nn(C(C)C)c3ccccc23)CN1
InChIInChI=1S/C21H32N4O2/c1-5-21(27,6-2)12-15-11-16(13-22-15)23-20(26)19-17-9-7-8-10-18(17)25(24-19)14(3)4/h7-10,14-16,22,27H,5-6,11-13H2,1-4H3,(H,23,26)
InChIKeyBIRATPPIBVTVLX-UHFFFAOYSA-N
XLogP3.02
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-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

N-[(3S,5S)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829633
N-[(3S,5S)-5-[(2-hydroxy-2-methylpropoxy)methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829632
N-[(3S,5S)-5-[[2-(methylamino)-2-oxoethoxy]methyl]pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 70314655
N-[(3S,5S)-5-(methanesulfonamidomethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 159837138
N-[(3S,5S)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 59829648
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
(2S,5S)-2-(2-hydroxy-2-methylpropyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
CID 67270165
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
(2S,4S)-2-[2-(dimethylamino)-2-oxoethyl]-4-[(1-propan-2-ylindazole-3-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 67270630
(2R,5R)-2-(3-hydroxy-3-methylbutyl)-5-[(1-propan-2-ylindazole-3-carbonyl)amino]piperidine-1-carboxylic acid
CID 67270268
1-[(2S)-butan-2-yl]-N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
CID 67672093
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 69085690) is N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is CCC(O)(CC)CC1CC(NC(=O)c2nn(C(C)C)c3ccccc23)CN1.
What is the InChIKey of N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is BIRATPPIBVTVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-21(27,6-2)12-15-11-16(13-22-15)23-20(26)19-17-9-7-8-10-18(17)25(24-19)14(3)4/h7-10,14-16,22,27H,5-6,11-13H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethyl-2-hydroxybutyl)pyrrolidin-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 69085690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).