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

C23H18ClF2N7O — CID 130204594

IUPAC2-(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
SMILESCn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)C(F)(F)c2ccccc2Cl)n1
InChIInChI=1S/C23H18ClF2N7O/c1-32-19(7-10-29-32)31-22-27-9-6-18(30-22)15-12-14-8-11-33(20(14)28-13-15)21(34)23(25,26)16-4-2-3-5-17(16)24/h2-7,9-10,12-13H,8,11H2,1H3,(H,27,30,31)
InChIKeyQULPCZNGZQBIEO-UHFFFAOYSA-N
MW481.89 g/mol
LogP4.35
Rot. Bonds5

About 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

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 (PubChem CID 130204594) has the molecular formula C23H18ClF2N7O and a molecular weight of 481.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID130204594
Molecular FormulaC23H18ClF2N7O
Molecular Weight481.89 g/mol
Exact Mass481.12
IUPAC Name2-(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
SMILESCn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)C(F)(F)c2ccccc2Cl)n1
InChIInChI=1S/C23H18ClF2N7O/c1-32-19(7-10-29-32)31-22-27-9-6-18(30-22)15-12-14-8-11-33(20(14)28-13-15)21(34)23(25,26)16-4-2-3-5-17(16)24/h2-7,9-10,12-13H,8,11H2,1H3,(H,27,30,31)
InChIKeyQULPCZNGZQBIEO-UHFFFAOYSA-N
XLogP4.35
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
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-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
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
1-[(2-chlorophenyl)methylsulfinyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204123
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-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 130204467
1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175460522
N-[(3-chloro-4-fluorophenyl)methyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 170563496

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)C(F)(F)c2ccccc2Cl)n1.
What is the InChIKey of 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?
The InChIKey is QULPCZNGZQBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7O/c1-32-19(7-10-29-32)31-22-27-9-6-18(30-22)15-12-14-8-11-33(20(14)28-13-15)21(34)23(25,26)16-4-2-3-5-17(16)24/h2-7,9-10,12-13H,8,11H2,1H3,(H,27,30,31).
What are the key properties of 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?
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 has a molecular weight of 481.89 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130204594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).