N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide

C13H15IN4O2 — CID 120945759

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C13H15IN4O2/c14-8-1-2-10-9(3-8)12(18-17-10)13(20)16-5-7-4-15-6-11(7)19/h1-3,7,11,15,19H,4-6H2,(H,16,20)(H,17,18)
InChIKeyMXQPQTWPNOCBSE-UHFFFAOYSA-N
MW386.19 g/mol
LogP0.48
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide (PubChem CID 120945759) has the molecular formula C13H15IN4O2 and a molecular weight of 386.19 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
PubChem CID120945759
Molecular FormulaC13H15IN4O2
Molecular Weight386.19 g/mol
Exact Mass386.02
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1n[nH]c2ccc(I)cc12
InChIInChI=1S/C13H15IN4O2/c14-8-1-2-10-9(3-8)12(18-17-10)13(20)16-5-7-4-15-6-11(7)19/h1-3,7,11,15,19H,4-6H2,(H,16,20)(H,17,18)
InChIKeyMXQPQTWPNOCBSE-UHFFFAOYSA-N
XLogP0.48
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-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

5-iodo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-indazole-3-carboxamide
CID 166358741
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120946394
N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide
CID 88533306
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 120945116
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
5-bromo-N-[(4-hydroxypyrrolidin-3-yl)methyl]furan-3-carboxamide
CID 120943152
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide (CID 120945759) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide is O=C(NCC1CNCC1O)c1n[nH]c2ccc(I)cc12.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide?
The InChIKey is MXQPQTWPNOCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O2/c14-8-1-2-10-9(3-8)12(18-17-10)13(20)16-5-7-4-15-6-11(7)19/h1-3,7,11,15,19H,4-6H2,(H,16,20)(H,17,18).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide has a molecular weight of 386.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide is sourced from PubChem (CID 120945759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).