(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide

C21H24ClN5O — CID 172991059

IUPAC(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C21H24ClN5O/c1-12(2)8-24-21(28)20(17-6-15(22)7-19-18(17)11-25-27-19)26-16-4-3-13-9-23-10-14(13)5-16/h3-7,11-12,20,23,26H,8-10H2,1-2H3,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyZYGZLVGHOHVLIF-HXUWFJFHSA-N
MW397.91 g/mol
LogP3.74
Rot. Bonds6

About (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide

(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide (PubChem CID 172991059) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide
PubChem CID172991059
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C21H24ClN5O/c1-12(2)8-24-21(28)20(17-6-15(22)7-19-18(17)11-25-27-19)26-16-4-3-13-9-23-10-14(13)5-16/h3-7,11-12,20,23,26H,8-10H2,1-2H3,(H,24,28)(H,25,27)/t20-/m1/s1
InChIKeyZYGZLVGHOHVLIF-HXUWFJFHSA-N
XLogP3.74
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide (CID 172991059) is (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is ZYGZLVGHOHVLIF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-12(2)8-24-21(28)20(17-6-15(22)7-19-18(17)11-25-27-19)26-16-4-3-13-9-23-10-14(13)5-16/h3-7,11-12,20,23,26H,8-10H2,1-2H3,(H,24,28)(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide?
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 397.91 g/mol, XLogP of 3.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 172991059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).