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

C20H22ClN5O — CID 172991060

IUPAC(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide
SMILESCCCNC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeySXCDIRRWDDNQMG-LJQANCHMSA-N
MW383.88 g/mol
LogP3.50
Rot. Bonds6

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

(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide (PubChem CID 172991060) 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-propylacetamide.

Molecular Properties

Compound Name(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide
PubChem CID172991060
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-propylacetamide
SMILESCCCNC(=O)[C@H](Nc1ccc2c(c1)CNC2)c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeySXCDIRRWDDNQMG-LJQANCHMSA-N
XLogP3.50
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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-propylacetamide?
The IUPAC name of (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide (CID 172991060) is (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide.
What is the SMILES notation for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide?
The canonical SMILES for (2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide is CCCNC(=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-propylacetamide?
The InChIKey is SXCDIRRWDDNQMG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/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-propylacetamide?
(2R)-2-(6-chloro-1H-indazol-4-yl)-2-(2,3-dihydro-1H-isoindol-5-ylamino)-N-propylacetamide has a molecular weight of 383.88 g/mol, XLogP of 3.50, 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-propylacetamide is sourced from PubChem (CID 172991060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).