N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

C22H16ClN5O2 — CID 166985037

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H16ClN5O2/c23-16-8-5-14(6-9-16)13-28-20-4-2-1-3-17(20)21(25-28)22(29)24-12-15-7-10-18-19(11-15)27-30-26-18/h1-11H,12-13H2,(H,24,29)
InChIKeyMJEDMTISTCYNNR-UHFFFAOYSA-N
MW417.86 g/mol
LogP4.20
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (PubChem CID 166985037) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
PubChem CID166985037
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C22H16ClN5O2/c23-16-8-5-14(6-9-16)13-28-20-4-2-1-3-17(20)21(25-28)22(29)24-12-15-7-10-18-19(11-15)27-30-26-18/h1-11H,12-13H2,(H,24,29)
InChIKeyMJEDMTISTCYNNR-UHFFFAOYSA-N
XLogP4.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
CID 166984539
1-[(4-chlorophenyl)methyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)indazole-3-carboxamide
CID 166984538
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984699
1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
CID 166984837
1-[(4-chlorophenyl)methyl]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]indazole-3-carboxamide
CID 166984898
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
1-benzylindazole-3-carboxylate
CID 22239042
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylate
CID 158510264

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (CID 166985037) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is O=C(NCc1ccc2nonc2c1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is MJEDMTISTCYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-16-8-5-14(6-9-16)13-28-20-4-2-1-3-17(20)21(25-28)22(29)24-12-15-7-10-18-19(11-15)27-30-26-18/h1-11H,12-13H2,(H,24,29).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 417.86 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166985037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).