4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine

C20H21N5O — CID 66828840

IUPAC4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C)cc43)c2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-18-20(2,23-19(21)12-25(18)24-13)16-6-4-5-14(8-16)15-9-17(26-3)11-22-10-15/h4-11H,12H2,1-3H3,(H2,21,23)
InChIKeyAQECBAFQWORLQG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.90
Rot. Bonds3

About 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine

4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine (PubChem CID 66828840) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine.

Molecular Properties

Compound Name4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine
PubChem CID66828840
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C)cc43)c2)c1
InChIInChI=1S/C20H21N5O/c1-13-7-18-20(2,23-19(21)12-25(18)24-13)16-6-4-5-14(8-16)15-9-17(26-3)11-22-10-15/h4-11H,12H2,1-3H3,(H2,21,23)
InChIKeyAQECBAFQWORLQG-UHFFFAOYSA-N
XLogP2.90
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-methoxy-3-pyridinyl)phenyl]-4-methyl-2-(trifluoromethyl)-7H-pyrazolo[1,5-a]pyrazin-6-amine
CID 56948645
6-[3-(5-methoxy-3-pyridinyl)phenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-amine
CID 67984353
5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 54761220
3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873271
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
CID 71680849
4-(3-fluoro-4-methoxyphenyl)-4-[3-(5-methoxy-3-pyridinyl)phenyl]-5H-1,3-oxazole
CID 91605781
[4-[2-amino-4-[3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 87682247
2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;urea
CID 158068870
acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873270
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
4-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 104877368
2-(4-methoxyphenyl)-5-propan-2-yl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine
CID 71459167

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The IUPAC name of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine (CID 66828840) is 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine.
What is the SMILES notation for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The canonical SMILES for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine is COc1cncc(-c2cccc(C3(C)N=C(N)Cn4nc(C)cc43)c2)c1.
What is the InChIKey of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine?
The InChIKey is AQECBAFQWORLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-7-18-20(2,23-19(21)12-25(18)24-13)16-6-4-5-14(8-16)15-9-17(26-3)11-22-10-15/h4-11H,12H2,1-3H3,(H2,21,23).
What are the key properties of 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine?
4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine has a molecular weight of 347.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dimethyl-7H-pyrazolo[1,5-a]pyrazin-6-amine is sourced from PubChem (CID 66828840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).