1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide

C22H25ClN4O — CID 53012821

IUPAC1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H25ClN4O/c23-20-6-4-5-17(13-20)16-27-21-14-18(7-8-19(21)15-25-27)22(28)24-9-12-26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12,16H2,(H,24,28)
InChIKeyKDGBCZGCBVLJEN-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.95
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide

1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide (PubChem CID 53012821) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
PubChem CID53012821
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C22H25ClN4O/c23-20-6-4-5-17(13-20)16-27-21-14-18(7-8-19(21)15-25-27)22(28)24-9-12-26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12,16H2,(H,24,28)
InChIKeyKDGBCZGCBVLJEN-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 53084774
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084651
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
CID 53012805
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
5-[(3-chlorophenyl)methyl]-6,11-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 3512872
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
1-[(3-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)benzotriazole-5-carboxamide
CID 53111369

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide (CID 53012821) is 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide is O=C(NCCN1CCCCC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide?
The InChIKey is KDGBCZGCBVLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-20-6-4-5-17(13-20)16-27-21-14-18(7-8-19(21)15-25-27)22(28)24-9-12-26-10-2-1-3-11-26/h4-8,13-15H,1-3,9-12,16H2,(H,24,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 53012821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).