6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one

C23H18F2N6O3 — CID 162651049

IUPAC6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one
SMILESCOc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1
InChIInChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3
InChIKeyALFMCTOWHKIARN-UHFFFAOYSA-N
MW464.43 g/mol
LogP3.38
Rot. Bonds6

About 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one

6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one (PubChem CID 162651049) has the molecular formula C23H18F2N6O3 and a molecular weight of 464.43 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one
PubChem CID162651049
Molecular FormulaC23H18F2N6O3
Molecular Weight464.43 g/mol
Exact Mass464.14
IUPAC Name6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one
SMILESCOc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1
InChIInChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3
InChIKeyALFMCTOWHKIARN-UHFFFAOYSA-N
XLogP3.38
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one (CID 162651049) is 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one is COc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(OCC(F)F)nc23)cn1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one?
The InChIKey is ALFMCTOWHKIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O3/c1-30-11-14-9-15(4-5-16(14)28-30)31-23(32)21(13-3-7-19(33-2)26-10-13)22-17(29-31)6-8-20(27-22)34-12-18(24)25/h3-11,18H,12H2,1-2H3.
What are the key properties of 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one?
6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one has a molecular weight of 464.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-4-(6-methoxy-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 162651049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).