1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide

C22H23ClN6O — CID 166984837

IUPAC1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
SMILESCC(C)c1cn(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nn1
InChIInChI=1S/C22H23ClN6O/c1-15(2)19-14-28(27-25-19)12-11-24-22(30)21-18-5-3-4-6-20(18)29(26-21)13-16-7-9-17(23)10-8-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,30)
InChIKeyRTXDNAVETFBDDO-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.88
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide (PubChem CID 166984837) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
PubChem CID166984837
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
SMILESCC(C)c1cn(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nn1
InChIInChI=1S/C22H23ClN6O/c1-15(2)19-14-28(27-25-19)12-11-24-22(30)21-18-5-3-4-6-20(18)29(26-21)13-16-7-9-17(23)10-8-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,30)
InChIKeyRTXDNAVETFBDDO-UHFFFAOYSA-N
XLogP3.88
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
CID 166984539
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984699
1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
CID 166984544
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166985037
1-[(4-chlorophenyl)methyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)indazole-3-carboxamide
CID 166984538
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124546
[5-[[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylpentyl]-triphenylphosphanium bromide
CID 162305899
ethyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate
CID 125181443
1-[(4-chlorophenyl)methyl]-6-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indazole-3-carboxamide
CID 166984672

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide (CID 166984837) is 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide is CC(C)c1cn(CCNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)nn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide?
The InChIKey is RTXDNAVETFBDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-15(2)19-14-28(27-25-19)12-11-24-22(30)21-18-5-3-4-6-20(18)29(26-21)13-16-7-9-17(23)10-8-16/h3-10,14-15H,11-13H2,1-2H3,(H,24,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 166984837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).