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

C22H20ClN5O — CID 23570792

IUPAC2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(NCCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O/c23-17-5-3-4-15(12-17)21(25-11-9-18-6-1-2-10-24-18)22(29)27-19-7-8-20-16(13-19)14-26-28-20/h1-8,10,12-14,21,25H,9,11H2,(H,26,28)(H,27,29)
InChIKeyMKAKIGYGSTUEDU-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.12
Rot. Bonds7

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

2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide (PubChem CID 23570792) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide
PubChem CID23570792
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C(NCCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O/c23-17-5-3-4-15(12-17)21(25-11-9-18-6-1-2-10-24-18)22(29)27-19-7-8-20-16(13-19)14-26-28-20/h1-8,10,12-14,21,25H,9,11H2,(H,26,28)(H,27,29)
InChIKeyMKAKIGYGSTUEDU-UHFFFAOYSA-N
XLogP4.12
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.12
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-(2-pyridin-2-ylethylamino)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide (CID 23570792) is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide is O=C(Nc1ccc2[nH]ncc2c1)C(NCCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
The InChIKey is MKAKIGYGSTUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-17-5-3-4-15(12-17)21(25-11-9-18-6-1-2-10-24-18)22(29)27-19-7-8-20-16(13-19)14-26-28-20/h1-8,10,12-14,21,25H,9,11H2,(H,26,28)(H,27,29).
What are the key properties of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-2-(2-pyridin-2-ylethylamino)acetamide has a molecular weight of 405.89 g/mol, XLogP of 4.12, 7 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-(2-pyridin-2-ylethylamino)acetamide is sourced from PubChem (CID 23570792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).