2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide

C21H18ClN5O — CID 10237530

IUPAC2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN5O/c22-16-5-3-4-14(10-16)20(24-13-18-6-1-2-9-23-18)21(28)26-17-7-8-19-15(11-17)12-25-27-19/h1-12,20,24H,13H2,(H,25,27)(H,26,28)
InChIKeyMFIKWEWCURMGOQ-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.08
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide

2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 10237530) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID10237530
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(NCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C21H18ClN5O/c22-16-5-3-4-14(10-16)20(24-13-18-6-1-2-9-23-18)21(28)26-17-7-8-19-15(11-17)12-25-27-19/h1-12,20,24H,13H2,(H,25,27)(H,26,28)
InChIKeyMFIKWEWCURMGOQ-UHFFFAOYSA-N
XLogP4.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11548023
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-6-methyl-N-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11649154
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11656187
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methylpyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 25093243
ML300-based SC inhibitor 39
CID 156027235
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135453331
4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-N-(2-(pyridin-3-yl)-ethyl)-1H-pyrrole-2-carboxamide
CID 135523940
4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 135529466
N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide
CID 156027238
Hymenialdisine, 28o
CID 135499824
(2R)-1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 168299719

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide (CID 10237530) is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide is O=C(Nc1ccc2[nH]ncc2c1)C(NCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is MFIKWEWCURMGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c22-16-5-3-4-14(10-16)20(24-13-18-6-1-2-9-23-18)21(28)26-17-7-8-19-15(11-17)12-25-27-19/h1-12,20,24H,13H2,(H,25,27)(H,26,28).
What are the key properties of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide?
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 10237530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).