7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

C72H78N12O9 — CID 157465389

IUPAC7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@@H]4C)c23)c1C
InChIInChI=1S/3C24H26N4O3/c3*1-13-10-25-24(30-4)15(3)21(13)16-5-6-17-19(9-16)27-23(29)18-11-26-28(22(17)18)20-7-8-31-12-14(20)2/h3*5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20+;2*14-,20-/m010/s1
InChIKeyBUKJWDQUFBIXJN-UAYJRGAUSA-N
MW1255.49 g/mol
LogP12.49
Rot. Bonds9

About 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 157465389) has the molecular formula C72H78N12O9 and a molecular weight of 1255.49 g/mol. Its IUPAC name is 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID157465389
Molecular FormulaC72H78N12O9
Molecular Weight1255.49 g/mol
Exact Mass1254.60
IUPAC Name7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCOc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@@H]4C)c23)c1C
InChIInChI=1S/3C24H26N4O3/c3*1-13-10-25-24(30-4)15(3)21(13)16-5-6-17-19(9-16)27-23(29)18-11-26-28(22(17)18)20-7-8-31-12-14(20)2/h3*5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20+;2*14-,20-/m010/s1
InChIKeyBUKJWDQUFBIXJN-UAYJRGAUSA-N
XLogP12.49
TPSA246.09 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001255.49
LogP ≤ 512.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 123678887
(2R,10E)-15-(1-ethyl-4-fluoroindazol-6-yl)-9-[4-fluoro-6-[5-[(3R)-3-methyl-2-oxopiperidin-3-yl]-6-oxo-1H-pyridin-2-yl]indazol-1-yl]-2,10-dimethyl-12-oxa-4,14-diazatricyclo[11.4.0.02,7]heptadeca-1(13),10,14,16-tetraen-3-one
CID 134322150
8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one
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(S)-8-fluoro-7-(2-methoxy-3,5-dimethylpyridin-4-yl)-1-(tetrahydrofuran-3-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136253988
(S)-8-fluoro-7-(2-methoxy-4,6-dimethylpyridin-3-yl)-1-(tetrahydrofuran-3-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one
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7-methyl-1-(1-methylpiperidin-4-yl)-8-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
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CID 136597863
8-fluoro-7-(6-methoxy-2,4-dimethyl-3-pyridinyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,5-c]quinolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one (CID 157465389) is 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@@H]4CCOC[C@H]4C)c23)c1C.COc1ncc(C)c(-c2ccc3c(c2)[nH]c(=O)c2cnn([C@H]4CCOC[C@@H]4C)c23)c1C.
What is the InChIKey of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is BUKJWDQUFBIXJN-UAYJRGAUSA-N. The full InChI is InChI=1S/3C24H26N4O3/c3*1-13-10-25-24(30-4)15(3)21(13)16-5-6-17-19(9-16)27-23(29)18-11-26-28(22(17)18)20-7-8-31-12-14(20)2/h3*5-6,9-11,14,20H,7-8,12H2,1-4H3,(H,27,29)/t14-,20+;2*14-,20-/m010/s1.
What are the key properties of 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one?
7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 1255.49 g/mol, XLogP of 12.49, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S,4R)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one;7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3R,4S)-3-methyloxan-4-yl]-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 157465389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).