methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

C26H19ClFN7O2 — CID 146662175

IUPACmethyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCOC(=O)N1CCc2nnc(-c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)cc2C1
InChIInChI=1S/C26H19ClFN7O2/c1-37-26(36)35-7-6-20-15(13-35)9-23(33-32-20)14-8-24-22(29-11-14)5-4-21(31-24)18-12-30-34-25(18)17-10-16(27)2-3-19(17)28/h2-5,8-12H,6-7,13H2,1H3,(H,30,34)
InChIKeyQGUJCPLULYCRCD-UHFFFAOYSA-N
MW515.94 g/mol
LogP5.06
Rot. Bonds3

About methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate

methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (PubChem CID 146662175) has the molecular formula C26H19ClFN7O2 and a molecular weight of 515.94 g/mol. Its IUPAC name is methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
PubChem CID146662175
Molecular FormulaC26H19ClFN7O2
Molecular Weight515.94 g/mol
Exact Mass515.13
IUPAC Namemethyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
SMILESCOC(=O)N1CCc2nnc(-c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)cc2C1
InChIInChI=1S/C26H19ClFN7O2/c1-37-26(36)35-7-6-20-15(13-35)9-23(33-32-20)14-8-24-22(29-11-14)5-4-21(31-24)18-12-30-34-25(18)17-10-16(27)2-3-19(17)28/h2-5,8-12H,6-7,13H2,1H3,(H,30,34)
InChIKeyQGUJCPLULYCRCD-UHFFFAOYSA-N
XLogP5.06
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.94
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The IUPAC name of methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate (CID 146662175) is methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate.
What is the SMILES notation for methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The canonical SMILES for methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is COC(=O)N1CCc2nnc(-c3cnc4ccc(-c5cn[nH]c5-c5cc(Cl)ccc5F)nc4c3)cc2C1.
What is the InChIKey of methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
The InChIKey is QGUJCPLULYCRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN7O2/c1-37-26(36)35-7-6-20-15(13-35)9-23(33-32-20)14-8-24-22(29-11-14)5-4-21(31-24)18-12-30-34-25(18)17-10-16(27)2-3-19(17)28/h2-5,8-12H,6-7,13H2,1H3,(H,30,34).
What are the key properties of methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate?
methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate has a molecular weight of 515.94 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate is sourced from PubChem (CID 146662175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).