1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

C21H19N5O — CID 3242463

IUPAC1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1
InChIInChI=1S/C21H19N5O/c1-27-17-10-8-16(9-11-17)26-21-18(13-24-26)20(22-14-23-21)25-12-4-6-15-5-2-3-7-19(15)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3
InChIKeyVTSMLBIZEXDQGW-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (PubChem CID 3242463) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
PubChem CID3242463
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1
InChIInChI=1S/C21H19N5O/c1-27-17-10-8-16(9-11-17)26-21-18(13-24-26)20(22-14-23-21)25-12-4-6-15-5-2-3-7-19(15)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3
InChIKeyVTSMLBIZEXDQGW-UHFFFAOYSA-N
XLogP3.91
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

Tucatinib
CID 51039094
Dorsomorphin
CID 11524144
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline (CID 3242463) is 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is VTSMLBIZEXDQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-17-10-8-16(9-11-17)26-21-18(13-24-26)20(22-14-23-21)25-12-4-6-15-5-2-3-7-19(15)25/h2-3,5,7-11,13-14H,4,6,12H2,1H3.
What are the key properties of 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline?
1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 357.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3242463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).