N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C22H22N6O — CID 20789125

IUPACN-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H22N6O/c29-22(25-17-7-2-1-3-8-17)16-6-4-5-14(11-16)20-18-12-15(21-23-13-24-28-21)9-10-19(18)26-27-20/h4-6,9-13,17H,1-3,7-8H2,(H,25,29)(H,26,27)(H,23,24,28)
InChIKeyDUXMGDMPXNIVPY-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.08
Rot. Bonds4

About N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789125) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789125
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C22H22N6O/c29-22(25-17-7-2-1-3-8-17)16-6-4-5-14(11-16)20-18-12-15(21-23-13-24-28-21)9-10-19(18)26-27-20/h4-6,9-13,17H,1-3,7-8H2,(H,25,29)(H,26,27)(H,23,24,28)
InChIKeyDUXMGDMPXNIVPY-UHFFFAOYSA-N
XLogP4.08
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)quinazolin-4(3H)-one
CID 135947976
[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
cyclopropyl-[(3S)-3-[[3-[4-(1H-indazol-5-yl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944776
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155671014
3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164614632
N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164618063
N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164621590
N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 164622373
N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164627776
N-[2-(1H-indol-3-yl)ethyl]-4-(1H-tetrazol-1-yl)benzamide
CID 2116123
3-(1H-benzimidazol-2-yl)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1H-indazole-5-carboxamide
CID 136176135

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789125) is N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NC1CCCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is DUXMGDMPXNIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c29-22(25-17-7-2-1-3-8-17)16-6-4-5-14(11-16)20-18-12-15(21-23-13-24-28-21)9-10-19(18)26-27-20/h4-6,9-13,17H,1-3,7-8H2,(H,25,29)(H,26,27)(H,23,24,28).
What are the key properties of N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).