2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

C24H21ClN6O2 — CID 130204351

IUPAC2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(-c2ccnc(Nc3ccn[nH]3)n2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C24H21ClN6O2/c1-33-20-13-17(19-6-9-26-24(28-19)29-21-7-10-27-30-21)12-16-8-11-31(23(16)20)22(32)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,26,27,28,29,30)
InChIKeyHXRUGCPCUMEKKM-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.40
Rot. Bonds6

About 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 130204351) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID130204351
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cc(-c2ccnc(Nc3ccn[nH]3)n2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C24H21ClN6O2/c1-33-20-13-17(19-6-9-26-24(28-19)29-21-7-10-27-30-21)12-16-8-11-31(23(16)20)22(32)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,26,27,28,29,30)
InChIKeyHXRUGCPCUMEKKM-UHFFFAOYSA-N
XLogP4.40
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514361
4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluorobenzamide
CID 130204524
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile
CID 130204755
2-(3-chloro-4-pyridinyl)-1-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 130204056
1-[2-(2-fluorophenyl)acetyl]-5-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204642
5-[2-(3-cyanoanilino)pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 130204078
1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile;1-[2-(2-chlorophenyl)acetyl]-5-pyridin-4-yl-2,3-dihydroindole-7-carbonitrile
CID 145344002
N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 175097377
1-[(2-chlorophenyl)methylsulfinyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204123
5-(2-bromo-4-pyridinyl)-1-[2-(2-chlorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 150444694

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 130204351) is 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is COc1cc(-c2ccnc(Nc3ccn[nH]3)n2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2.
What is the InChIKey of 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is HXRUGCPCUMEKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-33-20-13-17(19-6-9-26-24(28-19)29-21-7-10-27-30-21)12-16-8-11-31(23(16)20)22(32)14-15-4-2-3-5-18(15)25/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 460.93 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 130204351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).