2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

C23H19ClFN7O — CID 138514361

IUPAC2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cnccc2Cl)n1
InChIInChI=1S/C23H19ClFN7O/c1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)15-10-14-5-9-32(22(14)18(25)11-15)21(33)12-16-13-26-6-2-17(16)24/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30)
InChIKeyBZGPSLRQNJMVKR-UHFFFAOYSA-N
MW463.90 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone

2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 138514361) has the molecular formula C23H19ClFN7O and a molecular weight of 463.90 g/mol. Its IUPAC name is 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID138514361
Molecular FormulaC23H19ClFN7O
Molecular Weight463.90 g/mol
Exact Mass463.13
IUPAC Name2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cnccc2Cl)n1
InChIInChI=1S/C23H19ClFN7O/c1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)15-10-14-5-9-32(22(14)18(25)11-15)21(33)12-16-13-26-6-2-17(16)24/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30)
InChIKeyBZGPSLRQNJMVKR-UHFFFAOYSA-N
XLogP3.94
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(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
4-[1-[2-(2-chloro-5-fluorophenyl)ethyl]-7-fluoro-2,3-dihydroindol-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155071900
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
4-[1-[2-(2-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
2-(2-chlorophenyl)-2,2-difluoro-1-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 130204594
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
1-[(2-chlorophenyl)methylsulfinyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204123
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
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
2-(2-chlorophenyl)-1-[7-methoxy-5-[2-(1H-pyrazol-5-ylamino)pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 130204351
1-[2-(2-fluorophenyl)acetyl]-5-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 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) is 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cnccc2Cl)n1.
What is the InChIKey of 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is BZGPSLRQNJMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O/c1-31-20(4-8-28-31)30-23-27-7-3-19(29-23)15-10-14-5-9-32(22(14)18(25)11-15)21(33)12-16-13-26-6-2-17(16)24/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,27,29,30).
What are the key properties of 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone?
2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 463.90 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 138514361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).