(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C19H16F2N6O — CID 123329659

IUPAC(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F
InChIInChI=1S/C19H16F2N6O/c1-9-4-5-12(20)15(16(9)21)17(28)11-6-22-18-14(11)19(24-8-23-18)25-13-7-27(3)26-10(13)2/h4-8H,1-3H3,(H2,22,23,24,25)
InChIKeyMVNGZYYWOMHEBZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.56
Rot. Bonds4

About (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 123329659) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID123329659
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F
InChIInChI=1S/C19H16F2N6O/c1-9-4-5-12(20)15(16(9)21)17(28)11-6-22-18-14(11)19(24-8-23-18)25-13-7-27(3)26-10(13)2/h4-8H,1-3H3,(H2,22,23,24,25)
InChIKeyMVNGZYYWOMHEBZ-UHFFFAOYSA-N
XLogP3.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 123329659) is (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is Cc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is MVNGZYYWOMHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-9-4-5-12(20)15(16(9)21)17(28)11-6-22-18-14(11)19(24-8-23-18)25-13-7-27(3)26-10(13)2/h4-8H,1-3H3,(H2,22,23,24,25).
What are the key properties of (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
(2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 382.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-[4-[(1,3-dimethylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 123329659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).