N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide

C22H22N6O2 — CID 154862895

IUPACN-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1CCCC1NC(=O)c1ccc2[nH]ncc2c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H22N6O2/c29-21(13-4-6-19-16(8-13)11-24-27-19)23-10-15-2-1-3-18(15)26-22(30)14-5-7-20-17(9-14)12-25-28-20/h4-9,11-12,15,18H,1-3,10H2,(H,23,29)(H,24,27)(H,25,28)(H,26,30)
InChIKeyIIPKEBVIGFMANY-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.77
Rot. Bonds5

About N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide

N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide (PubChem CID 154862895) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
PubChem CID154862895
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC1CCCC1NC(=O)c1ccc2[nH]ncc2c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H22N6O2/c29-21(13-4-6-19-16(8-13)11-24-27-19)23-10-15-2-1-3-18(15)26-22(30)14-5-7-20-17(9-14)12-25-28-20/h4-9,11-12,15,18H,1-3,10H2,(H,23,29)(H,24,27)(H,25,28)(H,26,30)
InChIKeyIIPKEBVIGFMANY-UHFFFAOYSA-N
XLogP2.77
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-1H-indazole-6-carboxamide
CID 107420262
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
N-(piperidin-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905604
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide (CID 154862895) is N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide is O=C(NCC1CCCC1NC(=O)c1ccc2[nH]ncc2c1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide?
The InChIKey is IIPKEBVIGFMANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-21(13-4-6-19-16(8-13)11-24-27-19)23-10-15-2-1-3-18(15)26-22(30)14-5-7-20-17(9-14)12-25-28-20/h4-9,11-12,15,18H,1-3,10H2,(H,23,29)(H,24,27)(H,25,28)(H,26,30).
What are the key properties of N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide?
N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 154862895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).