1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one

C32H32FN7O2 — CID 129048088

IUPAC1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2cnc(-c3ccnc(F)c3)cc21.Cc1ncc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1
InChIInChI=1S/C17H18N4O.C15H14FN3O/c1-10-18-7-11(8-19-10)14-6-15-13(9-20-14)17(2,3)16(22)21(15)12-4-5-12;1-15(2)10-8-18-11(7-12(10)19(3)14(15)20)9-4-5-17-13(16)6-9/h6-9,12H,4-5H2,1-3H3;4-8H,1-3H3
InChIKeyUYYLZFPHBGRFRG-UHFFFAOYSA-N
MW565.65 g/mol
LogP5.17
Rot. Bonds3

About 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one

1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one (PubChem CID 129048088) has the molecular formula C32H32FN7O2 and a molecular weight of 565.65 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
PubChem CID129048088
Molecular FormulaC32H32FN7O2
Molecular Weight565.65 g/mol
Exact Mass565.26
IUPAC Name1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2cnc(-c3ccnc(F)c3)cc21.Cc1ncc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1
InChIInChI=1S/C17H18N4O.C15H14FN3O/c1-10-18-7-11(8-19-10)14-6-15-13(9-20-14)17(2,3)16(22)21(15)12-4-5-12;1-15(2)10-8-18-11(7-12(10)19(3)14(15)20)9-4-5-17-13(16)6-9/h6-9,12H,4-5H2,1-3H3;4-8H,1-3H3
InChIKeyUYYLZFPHBGRFRG-UHFFFAOYSA-N
XLogP5.17
TPSA105.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one 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 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one (CID 129048088) is 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one is CN1C(=O)C(C)(C)c2cnc(-c3ccnc(F)c3)cc21.Cc1ncc(-c2cc3c(cn2)C(C)(C)C(=O)N3C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The InChIKey is UYYLZFPHBGRFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C15H14FN3O/c1-10-18-7-11(8-19-10)14-6-15-13(9-20-14)17(2,3)16(22)21(15)12-4-5-12;1-15(2)10-8-18-11(7-12(10)19(3)14(15)20)9-4-5-17-13(16)6-9/h6-9,12H,4-5H2,1-3H3;4-8H,1-3H3.
What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one has a molecular weight of 565.65 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)pyrrolo[3,2-c]pyridin-2-one;6-(2-fluoro-4-pyridinyl)-1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 129048088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).