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

C22H26N6O2 — CID 46887946

IUPAC7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccc2c(c1)OCO2)C3
InChIInChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26)
InChIKeyVUTOTCDDXSINPN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.82
Rot. Bonds3

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

7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887946) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887946
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccc2c(c1)OCO2)C3
InChIInChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26)
InChIKeyVUTOTCDDXSINPN-UHFFFAOYSA-N
XLogP2.82
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887946) is 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.
What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is Nc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccc2c(c1)OCO2)C3.
What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is VUTOTCDDXSINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c23-20-19-15-6-9-27(11-14-4-5-17-18(10-14)30-13-29-17)12-16(15)22(24-21(19)26-25-20)28-7-2-1-3-8-28/h4-5,10H,1-3,6-9,11-13H2,(H3,23,24,25,26).
What are the key properties of 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 406.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).