3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C23H19FN4OS — CID 146012391

IUPAC3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cs1
InChIInChI=1S/C23H19FN4OS/c1-14-27-18(13-30-14)12-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,13H,8,11-12H2,1H3,(H,26,29)
InChIKeyQDMLBEAEPACXEH-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.46
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012391) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012391
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC Name3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1nc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cs1
InChIInChI=1S/C23H19FN4OS/c1-14-27-18(13-30-14)12-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,13H,8,11-12H2,1H3,(H,26,29)
InChIKeyQDMLBEAEPACXEH-UHFFFAOYSA-N
XLogP4.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012391) is 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1nc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cs1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is QDMLBEAEPACXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-14-27-18(13-30-14)12-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,13H,8,11-12H2,1H3,(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 418.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).