7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

C18H28N6 — CID 46887948

IUPAC7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESCC(C)CN1CCc2c(c(N3CCCCC3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C18H28N6/c1-12(2)10-23-9-6-13-14(11-23)18(24-7-4-3-5-8-24)20-17-15(13)16(19)21-22-17/h12H,3-11H2,1-2H3,(H3,19,20,21,22)
InChIKeyWHAFCYAFXQMIBN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.54
Rot. Bonds3

About 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887948) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887948
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESCC(C)CN1CCc2c(c(N3CCCCC3)nc3n[nH]c(N)c23)C1
InChIInChI=1S/C18H28N6/c1-12(2)10-23-9-6-13-14(11-23)18(24-7-4-3-5-8-24)20-17-15(13)16(19)21-22-17/h12H,3-11H2,1-2H3,(H3,19,20,21,22)
InChIKeyWHAFCYAFXQMIBN-UHFFFAOYSA-N
XLogP2.54
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887948) is 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.
What is the SMILES notation for 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is CC(C)CN1CCc2c(c(N3CCCCC3)nc3n[nH]c(N)c23)C1.
What is the InChIKey of 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is WHAFCYAFXQMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-12(2)10-23-9-6-13-14(11-23)18(24-7-4-3-5-8-24)20-17-15(13)16(19)21-22-17/h12H,3-11H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 328.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).