7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid

C22H25N4O7P — CID 136987510

IUPAC7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
SMILESCOc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOC4)c23)c1C.O=P(O)(O)O
InChIInChI=1S/C22H22N4O3.H3O4P/c1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15;1-5(2,3)4/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27);(H3,1,2,3,4)
InChIKeyCTOKZAZTXDNPHL-UHFFFAOYSA-N
MW488.44 g/mol
LogP2.60
Rot. Bonds3

About 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid

7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid (PubChem CID 136987510) has the molecular formula C22H25N4O7P and a molecular weight of 488.44 g/mol. Its IUPAC name is 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid.

Molecular Properties

Compound Name7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
PubChem CID136987510
Molecular FormulaC22H25N4O7P
Molecular Weight488.44 g/mol
Exact Mass488.15
IUPAC Name7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid
SMILESCOc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOC4)c23)c1C.O=P(O)(O)O
InChIInChI=1S/C22H22N4O3.H3O4P/c1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15;1-5(2,3)4/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27);(H3,1,2,3,4)
InChIKeyCTOKZAZTXDNPHL-UHFFFAOYSA-N
XLogP2.60
TPSA159.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.44
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(3,5-dimethyl-2-propan-2-yloxy-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136597874
7-(2-methoxy-4,6-dimethyl-3-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136933007
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136932996
8-bromo-7-methyl-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505497
3-methanimidoyl-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-4-[(3-methylideneoxan-4-yl)amino]-1H-quinolin-2-one
CID 137257357
benzenesulfonic acid;3-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136987508
7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(5-methyloxepan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 137257288
5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxamide;ethyl 5-(4-bromo-2,5-difluorophenyl)-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;ethyl 5-[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[(3R)-oxolan-3-yl]pyrazole-4-carboxylate;8-fluoro-7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 161487162
8-[4-(5-methoxypentyl)piperazine-1-carbonyl]-7-methyl-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136619104
5-[2,5-difluoro-4-(2-methoxy-3,5-dimethyl-4-pyridinyl)phenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 86686395
5-[4-(3-ethyl-2-methoxy-5-methyl-4-pyridinyl)-2-fluorophenyl]-1-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 89494978
8-[4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505829

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid?
The IUPAC name of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid (CID 136987510) is 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid.
What is the SMILES notation for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid?
The canonical SMILES for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid is COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn(C4CCOC4)c23)c1C.O=P(O)(O)O.
What is the InChIKey of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid?
The InChIKey is CTOKZAZTXDNPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.H3O4P/c1-12-9-23-22(28-3)13(2)19(12)14-4-5-16-18(8-14)25-21(27)17-10-24-26(20(16)17)15-6-7-29-11-15;1-5(2,3)4/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,25,27);(H3,1,2,3,4).
What are the key properties of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid?
7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid has a molecular weight of 488.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one;phosphoric acid is sourced from PubChem (CID 136987510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).