1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C25H26N6O3 — CID 59619932

IUPAC1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(CO)c(OC(C)C)c4)cc3c21
InChIInChI=1S/C25H26N6O3/c1-14(2)34-23-9-17(10-26-20(23)13-32)16-6-7-19-18(8-16)24-21(11-27-19)30(5)25(33)31(24)22-12-29(4)28-15(22)3/h6-12,14,32H,13H2,1-5H3
InChIKeyLCJJDUCYSHCJLK-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.26
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619932) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619932
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(CO)c(OC(C)C)c4)cc3c21
InChIInChI=1S/C25H26N6O3/c1-14(2)34-23-9-17(10-26-20(23)13-32)16-6-7-19-18(8-16)24-21(11-27-19)30(5)25(33)31(24)22-12-29(4)28-15(22)3/h6-12,14,32H,13H2,1-5H3
InChIKeyLCJJDUCYSHCJLK-UHFFFAOYSA-N
XLogP3.26
TPSA99.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619932) is 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc(CO)c(OC(C)C)c4)cc3c21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is LCJJDUCYSHCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-14(2)34-23-9-17(10-26-20(23)13-32)16-6-7-19-18(8-16)24-21(11-27-19)30(5)25(33)31(24)22-12-29(4)28-15(22)3/h6-12,14,32H,13H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 458.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).