[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone

C22H19N7O — CID 130204055

IUPAC[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
SMILESCn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)c2ccccc2)n1
InChIInChI=1S/C22H19N7O/c1-28-19(8-11-25-28)27-22-23-10-7-18(26-22)17-13-16-9-12-29(20(16)24-14-17)21(30)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,26,27)
InChIKeyJDONWNGYFXDMHO-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.22
Rot. Bonds4

About [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone

[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone (PubChem CID 130204055) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
PubChem CID130204055
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
SMILESCn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)c2ccccc2)n1
InChIInChI=1S/C22H19N7O/c1-28-19(8-11-25-28)27-22-23-10-7-18(26-22)17-13-16-9-12-29(20(16)24-14-17)21(30)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,26,27)
InChIKeyJDONWNGYFXDMHO-UHFFFAOYSA-N
XLogP3.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 130204467
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
N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
CID 130204452
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
CID 145343942
1-[(2-chlorophenyl)methylsulfinyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204123
6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794

Frequently Asked Questions

What is the IUPAC name of [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone?
The IUPAC name of [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone (CID 130204055) is [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone?
The canonical SMILES for [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone is Cn1nccc1Nc1nccc(-c2cnc3c(c2)CCN3C(=O)c2ccccc2)n1.
What is the InChIKey of [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone?
The InChIKey is JDONWNGYFXDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-28-19(8-11-25-28)27-22-23-10-7-18(26-22)17-13-16-9-12-29(20(16)24-14-17)21(30)15-5-3-2-4-6-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,26,27).
What are the key properties of [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone?
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone has a molecular weight of 397.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone is sourced from PubChem (CID 130204055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).