4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one

C24H25ClFN5O3 — CID 146447968

IUPAC4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESCCc1c(F)cccc1Oc1ncnc2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H25ClFN5O3/c1-2-15-17(26)6-5-7-20(15)34-23-16-9-10-30(13-18(16)27-14-28-23)19-12-29-31(24(32)22(19)25)21-8-3-4-11-33-21/h5-7,12,14,21H,2-4,8-11,13H2,1H3
InChIKeyANAWZXIUXAABBT-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.44
Rot. Bonds5

About 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 146447968) has the molecular formula C24H25ClFN5O3 and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
PubChem CID146447968
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.95 g/mol
Exact Mass485.16
IUPAC Name4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
SMILESCCc1c(F)cccc1Oc1ncnc2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H25ClFN5O3/c1-2-15-17(26)6-5-7-20(15)34-23-16-9-10-30(13-18(16)27-14-28-23)19-12-29-31(24(32)22(19)25)21-8-3-4-11-33-21/h5-7,12,14,21H,2-4,8-11,13H2,1H3
InChIKeyANAWZXIUXAABBT-UHFFFAOYSA-N
XLogP4.44
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one (CID 146447968) is 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one is CCc1c(F)cccc1Oc1ncnc2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2.
What is the InChIKey of 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is ANAWZXIUXAABBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O3/c1-2-15-17(26)6-5-7-20(15)34-23-16-9-10-30(13-18(16)27-14-28-23)19-12-29-31(24(32)22(19)25)21-8-3-4-11-33-21/h5-7,12,14,21H,2-4,8-11,13H2,1H3.
What are the key properties of 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 485.95 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-ethyl-3-fluorophenoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 146447968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).