2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H15N7O — CID 146268674

IUPAC2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4cnccn4)nc3n2)c1
InChIInChI=1S/C17H15N7O/c1-25-12-4-2-3-11(7-12)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-5-6-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23)
InChIKeyHHLJXRCLIWXLES-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.92
Rot. Bonds4

About 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268674) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268674
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Cn2cc3c(N)nc(-c4cnccn4)nc3n2)c1
InChIInChI=1S/C17H15N7O/c1-25-12-4-2-3-11(7-12)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-5-6-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23)
InChIKeyHHLJXRCLIWXLES-UHFFFAOYSA-N
XLogP1.92
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Bos172722
CID 73386890
Mak-683
CID 121412508
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
ML347
CID 44577753
Ksq-4279
CID 150782011
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
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-Chloranyl-1-[(4-Methoxy-3,5-Dimethyl-Pyridin-2-Yl)methyl]pyrazolo[3,4-D]pyrimidin-6-Amine
CID 58762794

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 146268674) is 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Cn2cc3c(N)nc(-c4cnccn4)nc3n2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HHLJXRCLIWXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-25-12-4-2-3-11(7-12)9-24-10-13-15(18)21-17(22-16(13)23-24)14-8-19-5-6-20-14/h2-8,10H,9H2,1H3,(H2,18,21,22,23).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 333.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).