1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile

C25H19ClN6O — CID 130204755

IUPAC1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3)c2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C25H19ClN6O/c26-22-4-2-1-3-17(22)12-24(33)32-8-6-18-9-19(10-20(13-27)25(18)32)16-5-7-28-23(11-16)31-21-14-29-30-15-21/h1-5,7,9-11,14-15H,6,8,12H2,(H,28,31)(H,29,30)
InChIKeyVMSXKVPCTCDZBR-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.87
Rot. Bonds5

About 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile

1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile (PubChem CID 130204755) has the molecular formula C25H19ClN6O and a molecular weight of 454.92 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile
PubChem CID130204755
Molecular FormulaC25H19ClN6O
Molecular Weight454.92 g/mol
Exact Mass454.13
IUPAC Name1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cn[nH]c3)c2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2
InChIInChI=1S/C25H19ClN6O/c26-22-4-2-1-3-17(22)12-24(33)32-8-6-18-9-19(10-20(13-27)25(18)32)16-5-7-28-23(11-16)31-21-14-29-30-15-21/h1-5,7,9-11,14-15H,6,8,12H2,(H,28,31)(H,29,30)
InChIKeyVMSXKVPCTCDZBR-UHFFFAOYSA-N
XLogP4.87
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(2-bromo-4-pyridinyl)-1-[2-(2-chlorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 150444694
(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine
CID 130204740
5-[2-(3-cyanoanilino)pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 130204078
2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 130204351
4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluorobenzamide
CID 130204524
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-(2-fluorophenyl)acetyl]-5-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204642
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
(Z)-3-(cyanoamino)-N'-[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]prop-2-enimidamide
CID 145343896
tert-butyl 4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 150712144

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile?
The IUPAC name of 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile (CID 130204755) is 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile.
What is the SMILES notation for 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile?
The canonical SMILES for 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile is N#Cc1cc(-c2ccnc(Nc3cn[nH]c3)c2)cc2c1N(C(=O)Cc1ccccc1Cl)CC2.
What is the InChIKey of 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile?
The InChIKey is VMSXKVPCTCDZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O/c26-22-4-2-1-3-17(22)12-24(33)32-8-6-18-9-19(10-20(13-27)25(18)32)16-5-7-28-23(11-16)31-21-14-29-30-15-21/h1-5,7,9-11,14-15H,6,8,12H2,(H,28,31)(H,29,30).
What are the key properties of 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile?
1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile has a molecular weight of 454.92 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile is sourced from PubChem (CID 130204755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).