4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C25H21Cl2N5O3 — CID 135655976

IUPAC4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2N5O3/c1-14-24-18(12-23(33)28-25(24)32(31-14)22-10-9-21(27)29-30-22)16-5-8-19(20(11-16)34-2)35-13-15-3-6-17(26)7-4-15/h3-11,18H,12-13H2,1-2H3,(H,28,33)
InChIKeyOZVOGRVNIVHQJY-UHFFFAOYSA-N
MW510.38 g/mol
LogP5.34
Rot. Bonds6

About 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655976) has the molecular formula C25H21Cl2N5O3 and a molecular weight of 510.38 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135655976
Molecular FormulaC25H21Cl2N5O3
Molecular Weight510.38 g/mol
Exact Mass509.10
IUPAC Name4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1cc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2N5O3/c1-14-24-18(12-23(33)28-25(24)32(31-14)22-10-9-21(27)29-30-22)16-5-8-19(20(11-16)34-2)35-13-15-3-6-17(26)7-4-15/h3-11,18H,12-13H2,1-2H3,(H,28,33)
InChIKeyOZVOGRVNIVHQJY-UHFFFAOYSA-N
XLogP5.34
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.38
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

1-(6-chloropyridazin-3-yl)-4-(4-methoxy-3-prop-2-ynoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654838
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930877
1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584729
(4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-3-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136825320
(4S)-1-(6-chloropyridazin-3-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930844
(4S)-4-(3-bromo-4-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953656
1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655054
1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655040
(4S)-4-[4-[(4-chlorophenyl)methoxy]phenyl]-3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909723
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878821
(4S)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(6-methoxypyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953587
(4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871162

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655976) is 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1cc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OZVOGRVNIVHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O3/c1-14-24-18(12-23(33)28-25(24)32(31-14)22-10-9-21(27)29-30-22)16-5-8-19(20(11-16)34-2)35-13-15-3-6-17(26)7-4-15/h3-11,18H,12-13H2,1-2H3,(H,28,33).
What are the key properties of 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 510.38 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).