7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline

C25H20N6O — CID 148622773

IUPAC7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline
SMILESCOc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1C1=CCN=C1
InChIInChI=1S/C25H20N6O/c1-31-22-14-27-21-12-23(32-2)18(17-7-9-26-13-17)11-19(21)24(22)25(30-31)16-5-3-15(4-6-16)20-8-10-28-29-20/h3-8,10-14H,9H2,1-2H3,(H,28,29)
InChIKeyNGPKOOSQGFXGRU-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.66
Rot. Bonds4

About 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline

7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline (PubChem CID 148622773) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline
PubChem CID148622773
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline
SMILESCOc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1C1=CCN=C1
InChIInChI=1S/C25H20N6O/c1-31-22-14-27-21-12-23(32-2)18(17-7-9-26-13-17)11-19(21)24(22)25(30-31)16-5-3-15(4-6-16)20-8-10-28-29-20/h3-8,10-14H,9H2,1-2H3,(H,28,29)
InChIKeyNGPKOOSQGFXGRU-UHFFFAOYSA-N
XLogP4.66
TPSA80.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592426
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 56592259
7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 149406912
4-[7-methoxy-3-methyl-8-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 68635164
4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591533
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 134325571
N-(cyanomethoxy)-3-[1-(4-cyanophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]-2-(4-fluorophenyl)propanamide
CID 87523775
3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
CID 68633326
4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-phenylbenzonitrile;1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline;3-fluoro-4-(7-methoxy-3-methyl-8-pyridin-3-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile;1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline
CID 159376281
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 161317294
[1-[2-fluoro-4-(methylamino)phenyl]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl] trifluoromethanesulfonate
CID 162589945
5-(4-fluoro-3-methoxyphenyl)-1H-pyrazole
CID 70662601

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline?
The IUPAC name of 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline (CID 148622773) is 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline?
The canonical SMILES for 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline is COc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1C1=CCN=C1.
What is the InChIKey of 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline?
The InChIKey is NGPKOOSQGFXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-31-22-14-27-21-12-23(32-2)18(17-7-9-26-13-17)11-19(21)24(22)25(30-31)16-5-3-15(4-6-16)20-8-10-28-29-20/h3-8,10-14H,9H2,1-2H3,(H,28,29).
What are the key properties of 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline?
7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline has a molecular weight of 420.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]-8-(2H-pyrrol-4-yl)pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 148622773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).