1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

C25H25FN8O2 — CID 122589388

IUPAC1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(N2CCNCC2)cc1F)c(=O)n3C
InChIInChI=1S/C25H25FN8O2/c1-31-14-15(11-30-31)17-9-18-20(10-22(17)36-3)28-13-21-23(18)34(25(35)32(21)2)24-19(26)8-16(12-29-24)33-6-4-27-5-7-33/h8-14,27H,4-7H2,1-3H3
InChIKeyHMXLJQDDEJPUMO-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.23
Rot. Bonds4

About 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 122589388) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
PubChem CID122589388
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(N2CCNCC2)cc1F)c(=O)n3C
InChIInChI=1S/C25H25FN8O2/c1-31-14-15(11-30-31)17-9-18-20(10-22(17)36-3)28-13-21-23(18)34(25(35)32(21)2)24-19(26)8-16(12-29-24)33-6-4-27-5-7-33/h8-14,27H,4-7H2,1-3H3
InChIKeyHMXLJQDDEJPUMO-UHFFFAOYSA-N
XLogP2.23
TPSA95.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 122589388) is 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ncc(N2CCNCC2)cc1F)c(=O)n3C.
What is the InChIKey of 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
The InChIKey is HMXLJQDDEJPUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-31-14-15(11-30-31)17-9-18-20(10-22(17)36-3)28-13-21-23(18)34(25(35)32(21)2)24-19(26)8-16(12-29-24)33-6-4-27-5-7-33/h8-14,27H,4-7H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one?
1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 488.53 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-piperazin-1-yl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).