5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide

C24H33BrN4O2 — CID 139431399

IUPAC5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide
SMILESO=C(NC1CCC(CN2CCCC2)CC1)c1nn(C2CCCCO2)c2ccc(Br)cc12
InChIInChI=1S/C24H33BrN4O2/c25-18-8-11-21-20(15-18)23(27-29(21)22-5-1-4-14-31-22)24(30)26-19-9-6-17(7-10-19)16-28-12-2-3-13-28/h8,11,15,17,19,22H,1-7,9-10,12-14,16H2,(H,26,30)
InChIKeyYBXZEYXMVCCJNJ-UHFFFAOYSA-N
MW489.46 g/mol
LogP4.88
Rot. Bonds5

About 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide

5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide (PubChem CID 139431399) has the molecular formula C24H33BrN4O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide
PubChem CID139431399
Molecular FormulaC24H33BrN4O2
Molecular Weight489.46 g/mol
Exact Mass488.18
IUPAC Name5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide
SMILESO=C(NC1CCC(CN2CCCC2)CC1)c1nn(C2CCCCO2)c2ccc(Br)cc12
InChIInChI=1S/C24H33BrN4O2/c25-18-8-11-21-20(15-18)23(27-29(21)22-5-1-4-14-31-22)24(30)26-19-9-6-17(7-10-19)16-28-12-2-3-13-28/h8,11,15,17,19,22H,1-7,9-10,12-14,16H2,(H,26,30)
InChIKeyYBXZEYXMVCCJNJ-UHFFFAOYSA-N
XLogP4.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]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-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
5-bromo-1-(oxan-2-yl)-3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]indazole
CID 156501282
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
[6-bromo-4-[[4-(pyrrolidin-1-ylmethyl)cyclohexyl]amino]quinolin-3-yl]-cyclopropylmethanone
CID 66716832
2-[5-bromo-1-(oxan-2-yl)indazol-3-yl]indole-1-carboxylic acid
CID 155316580
3-ethynyl-1-[(2S)-oxan-2-yl]indazole-5-carboxylic acid
CID 124673269
tert-butyl 5-bromo-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]indazole-1-carboxylate
CID 156501619
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267
5-bromo-3-fluoro-1-(oxan-2-yl)indazole;cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine;3-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 160781012
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide?
The IUPAC name of 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide (CID 139431399) is 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide is O=C(NC1CCC(CN2CCCC2)CC1)c1nn(C2CCCCO2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide?
The InChIKey is YBXZEYXMVCCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN4O2/c25-18-8-11-21-20(15-18)23(27-29(21)22-5-1-4-14-31-22)24(30)26-19-9-6-17(7-10-19)16-28-12-2-3-13-28/h8,11,15,17,19,22H,1-7,9-10,12-14,16H2,(H,26,30).
What are the key properties of 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide?
5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide has a molecular weight of 489.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)-N-[4-(pyrrolidin-1-ylmethyl)cyclohexyl]indazole-3-carboxamide is sourced from PubChem (CID 139431399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).