4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one

C26H27FN8O2 — CID 164514222

IUPAC4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCCC(F)C4)n2)n(C)c(=O)n3C)c(C)n1
InChIInChI=1S/C26H27FN8O2/c1-15-17-13-29-35(20(17)10-19(30-15)18-12-28-8-7-22(18)37-4)23-11-21-24(33(3)26(36)32(21)2)25(31-23)34-9-5-6-16(27)14-34/h7-8,10-13,16H,5-6,9,14H2,1-4H3
InChIKeyZMCLEVROSLEZMC-UHFFFAOYSA-N
MW502.55 g/mol
LogP3.32
Rot. Bonds4

About 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one

4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one (PubChem CID 164514222) has the molecular formula C26H27FN8O2 and a molecular weight of 502.55 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
PubChem CID164514222
Molecular FormulaC26H27FN8O2
Molecular Weight502.55 g/mol
Exact Mass502.22
IUPAC Name4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one
SMILESCOc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCCC(F)C4)n2)n(C)c(=O)n3C)c(C)n1
InChIInChI=1S/C26H27FN8O2/c1-15-17-13-29-35(20(17)10-19(30-15)18-12-28-8-7-22(18)37-4)23-11-21-24(33(3)26(36)32(21)2)25(31-23)34-9-5-6-16(27)14-34/h7-8,10-13,16H,5-6,9,14H2,1-4H3
InChIKeyZMCLEVROSLEZMC-UHFFFAOYSA-N
XLogP3.32
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one (CID 164514222) is 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(N4CCCC(F)C4)n2)n(C)c(=O)n3C)c(C)n1.
What is the InChIKey of 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
The InChIKey is ZMCLEVROSLEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O2/c1-15-17-13-29-35(20(17)10-19(30-15)18-12-28-8-7-22(18)37-4)23-11-21-24(33(3)26(36)32(21)2)25(31-23)34-9-5-6-16(27)14-34/h7-8,10-13,16H,5-6,9,14H2,1-4H3.
What are the key properties of 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one?
4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one has a molecular weight of 502.55 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-1-yl)-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 164514222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).