7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one

C25H29FN6O2 — CID 146444140

IUPAC7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCC5)nc4)cc3c21
InChIInChI=1S/C25H29FN6O2/c1-16(2)32-23-19-13-18(20(26)14-21(19)28-29-24(23)30(3)25(32)33)17-7-8-22(27-15-17)34-12-6-11-31-9-4-5-10-31/h7-8,13-16H,4-6,9-12H2,1-3H3
InChIKeyUNCGOLKXUDKPKS-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.93
Rot. Bonds7

About 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one

7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one (PubChem CID 146444140) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
PubChem CID146444140
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
SMILESCC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCC5)nc4)cc3c21
InChIInChI=1S/C25H29FN6O2/c1-16(2)32-23-19-13-18(20(26)14-21(19)28-29-24(23)30(3)25(32)33)17-7-8-22(27-15-17)34-12-6-11-31-9-4-5-10-31/h7-8,13-16H,4-6,9-12H2,1-3H3
InChIKeyUNCGOLKXUDKPKS-UHFFFAOYSA-N
XLogP3.93
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one (CID 146444140) is 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCC5)nc4)cc3c21.
What is the InChIKey of 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?
The InChIKey is UNCGOLKXUDKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-16(2)32-23-19-13-18(20(26)14-21(19)28-29-24(23)30(3)25(32)33)17-7-8-22(27-15-17)34-12-6-11-31-9-4-5-10-31/h7-8,13-16H,4-6,9-12H2,1-3H3.
What are the key properties of 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?
7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one has a molecular weight of 464.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1-propan-2-yl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 146444140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).