N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide

C19H26N4O2 — CID 22933507

IUPACN-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCC(NC2CCOCC2)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H26N4O2/c24-19(13-1-6-18-14(11-13)12-20-23-18)22-16-4-2-15(3-5-16)21-17-7-9-25-10-8-17/h1,6,11-12,15-17,21H,2-5,7-10H2,(H,20,23)(H,22,24)
InChIKeyBFECVYWFGGKMSO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds4

About N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide

N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 22933507) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID22933507
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCC(NC2CCOCC2)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C19H26N4O2/c24-19(13-1-6-18-14(11-13)12-20-23-18)22-16-4-2-15(3-5-16)21-17-7-9-25-10-8-17/h1,6,11-12,15-17,21H,2-5,7-10H2,(H,20,23)(H,22,24)
InChIKeyBFECVYWFGGKMSO-UHFFFAOYSA-N
XLogP2.37
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(1-cyclopentylpiperidin-3-yl)-1H-indazole-5-carboxamide
CID 22933774
N-[(3S)-1-azabicyclo[5.2.0]nonan-3-yl]-1H-indazole-5-carboxamide
CID 67561766
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
CID 91134825
benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
CID 90771041

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide (CID 22933507) is N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide is O=C(NC1CCC(NC2CCOCC2)CC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is BFECVYWFGGKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-19(13-1-6-18-14(11-13)12-20-23-18)22-16-4-2-15(3-5-16)21-17-7-9-25-10-8-17/h1,6,11-12,15-17,21H,2-5,7-10H2,(H,20,23)(H,22,24).
What are the key properties of N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide?
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).