3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine

C14H15N7 — CID 138513910

IUPAC3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCNc1cnc2c(N3CCCc4ncccc43)n[nH]c2n1
InChIInChI=1S/C14H15N7/c1-15-11-8-17-12-13(18-11)19-20-14(12)21-7-3-4-9-10(21)5-2-6-16-9/h2,5-6,8H,3-4,7H2,1H3,(H2,15,18,19,20)
InChIKeyPZPDLHSCIAFOMW-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.87
Rot. Bonds2

About 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine

3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 138513910) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID138513910
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine
SMILESCNc1cnc2c(N3CCCc4ncccc43)n[nH]c2n1
InChIInChI=1S/C14H15N7/c1-15-11-8-17-12-13(18-11)19-20-14(12)21-7-3-4-9-10(21)5-2-6-16-9/h2,5-6,8H,3-4,7H2,1H3,(H2,15,18,19,20)
InChIKeyPZPDLHSCIAFOMW-UHFFFAOYSA-N
XLogP1.87
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine (CID 138513910) is 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine is CNc1cnc2c(N3CCCc4ncccc43)n[nH]c2n1.
What is the InChIKey of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is PZPDLHSCIAFOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-15-11-8-17-12-13(18-11)19-20-14(12)21-7-3-4-9-10(21)5-2-6-16-9/h2,5-6,8H,3-4,7H2,1H3,(H2,15,18,19,20).
What are the key properties of 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine?
3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 281.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-N-methyl-1H-pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 138513910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).