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

C21H25ClN6 — CID 46887912

IUPAC7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1Cl)C3
InChIInChI=1S/C21H25ClN6/c22-17-7-3-2-6-14(17)12-27-11-8-15-16(13-27)21(28-9-4-1-5-10-28)24-20-18(15)19(23)25-26-20/h2-3,6-7H,1,4-5,8-13H2,(H3,23,24,25,26)
InChIKeyPNCSNZUBTJYTBH-UHFFFAOYSA-N
MW396.93 g/mol
LogP3.74
Rot. Bonds3

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

7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (PubChem CID 46887912) has the molecular formula C21H25ClN6 and a molecular weight of 396.93 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine.

Molecular Properties

Compound Name7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
PubChem CID46887912
Molecular FormulaC21H25ClN6
Molecular Weight396.93 g/mol
Exact Mass396.18
IUPAC Name7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
SMILESNc1[nH]nc2nc(N3CCCCC3)c3c(c12)CCN(Cc1ccccc1Cl)C3
InChIInChI=1S/C21H25ClN6/c22-17-7-3-2-6-14(17)12-27-11-8-15-16(13-27)21(28-9-4-1-5-10-28)24-20-18(15)19(23)25-26-20/h2-3,6-7H,1,4-5,8-13H2,(H3,23,24,25,26)
InChIKeyPNCSNZUBTJYTBH-UHFFFAOYSA-N
XLogP3.74
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The IUPAC name of 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine (CID 46887912) is 7-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The canonical SMILES for 7-[(2-chlorophenyl)methyl]-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(Cc1ccccc1Cl)C3.
What is the InChIKey of 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
The InChIKey is PNCSNZUBTJYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6/c22-17-7-3-2-6-14(17)12-27-11-8-15-16(13-27)21(28-9-4-1-5-10-28)24-20-18(15)19(23)25-26-20/h2-3,6-7H,1,4-5,8-13H2,(H3,23,24,25,26).
What are the key properties of 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine?
7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine has a molecular weight of 396.93 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine is sourced from PubChem (CID 46887912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).