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

C20H22ClN5O — CID 172991035

IUPAC(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyGVVOHEDOQMGYIG-LJQANCHMSA-N
MW383.88 g/mol
LogP3.50
Rot. Bonds5

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

(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide (PubChem CID 172991035) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide
PubChem CID172991035
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyGVVOHEDOQMGYIG-LJQANCHMSA-N
XLogP3.50
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-propan-2-ylacetamide?
The IUPAC name of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide (CID 172991035) is (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide?
The canonical SMILES for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide is CC(C)NC(=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-propan-2-ylacetamide?
The InChIKey is GVVOHEDOQMGYIG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/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-propan-2-ylacetamide?
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propan-2-ylacetamide has a molecular weight of 383.88 g/mol, XLogP of 3.50, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 172991035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).