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

C25H24FN5O2 — CID 146012505

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnccc1-c1c(-c2ccc(F)cc2)c2c(n1Cc1cc(C)nn1C)CCNC2=O
InChIInChI=1S/C25H24FN5O2/c1-15-12-18(30(2)29-15)14-31-20-9-11-28-25(32)23(20)22(16-4-6-17(26)7-5-16)24(31)19-8-10-27-13-21(19)33-3/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,28,32)
InChIKeyADTJEUDJHALUAX-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.74
Rot. Bonds5

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

1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012505) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012505
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnccc1-c1c(-c2ccc(F)cc2)c2c(n1Cc1cc(C)nn1C)CCNC2=O
InChIInChI=1S/C25H24FN5O2/c1-15-12-18(30(2)29-15)14-31-20-9-11-28-25(32)23(20)22(16-4-6-17(26)7-5-16)24(31)19-8-10-27-13-21(19)33-3/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,28,32)
InChIKeyADTJEUDJHALUAX-UHFFFAOYSA-N
XLogP3.74
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-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 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012505) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is COc1cnccc1-c1c(-c2ccc(F)cc2)c2c(n1Cc1cc(C)nn1C)CCNC2=O.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ADTJEUDJHALUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-15-12-18(30(2)29-15)14-31-20-9-11-28-25(32)23(20)22(16-4-6-17(26)7-5-16)24(31)19-8-10-27-13-21(19)33-3/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,28,32).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 445.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-methoxy-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).