1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol

C25H24N4O2 — CID 174327358

IUPAC1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(O)n2ccc3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-16-14-17(2)29-25(26-16)21(24(27-29)19-8-10-20(31-3)11-9-19)15-23(30)28-13-12-18-6-4-5-7-22(18)28/h4-14,23,30H,15H2,1-3H3
InChIKeyNSQBUTIWBJXXQF-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.71
Rot. Bonds5

About 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol

1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 174327358) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID174327358
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(O)n2ccc3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-16-14-17(2)29-25(26-16)21(24(27-29)19-8-10-20(31-3)11-9-19)15-23(30)28-13-12-18-6-4-5-7-22(18)28/h4-14,23,30H,15H2,1-3H3
InChIKeyNSQBUTIWBJXXQF-UHFFFAOYSA-N
XLogP4.71
TPSA64.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol with MolForge

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Related Compounds

N-benzyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 171619030
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 171618999
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 177056290
methyl 4-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 57412729
N-(3-methoxyphenyl)-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299381
1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 58880620
1-[2-(4-methoxyphenyl)ethyl]-2-methylindole
CID 65444625
2-[2-[4-[3-[4-[5,7-dimethyl-3-(2-oxopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]propoxy]phenyl]-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 58299421
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 174327358) is 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol is COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(O)n2ccc3ccccc32)cc1.
What is the InChIKey of 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is NSQBUTIWBJXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-14-17(2)29-25(26-16)21(24(27-29)19-8-10-20(31-3)11-9-19)15-23(30)28-13-12-18-6-4-5-7-22(18)28/h4-14,23,30H,15H2,1-3H3.
What are the key properties of 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 412.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 174327358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).