N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide

C22H26N4O — CID 142656246

IUPACN-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c2ccc(NCC3CCCCC3)cc12
InChIInChI=1S/C22H26N4O/c27-21(13-16-7-3-1-4-8-16)24-22-19-14-18(11-12-20(19)25-26-22)23-15-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,14,17,23H,2,5-6,9-10,13,15H2,(H2,24,25,26,27)
InChIKeyPVOZQPHMMYCMQW-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.74
Rot. Bonds6

About N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide

N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide (PubChem CID 142656246) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide
PubChem CID142656246
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c2ccc(NCC3CCCCC3)cc12
InChIInChI=1S/C22H26N4O/c27-21(13-16-7-3-1-4-8-16)24-22-19-14-18(11-12-20(19)25-26-22)23-15-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,14,17,23H,2,5-6,9-10,13,15H2,(H2,24,25,26,27)
InChIKeyPVOZQPHMMYCMQW-UHFFFAOYSA-N
XLogP4.74
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide (CID 142656246) is N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1n[nH]c2ccc(NCC3CCCCC3)cc12.
What is the InChIKey of N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide?
The InChIKey is PVOZQPHMMYCMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-21(13-16-7-3-1-4-8-16)24-22-19-14-18(11-12-20(19)25-26-22)23-15-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,14,17,23H,2,5-6,9-10,13,15H2,(H2,24,25,26,27).
What are the key properties of N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide?
N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide has a molecular weight of 362.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 142656246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).