7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine

C23H30N6 — CID 171987321

IUPAC7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine
SMILESCC1(C)CCCN(c2n[nH]c3c(N)nc4c(c23)CCN(Cc2ccccc2)C4)C1
InChIInChI=1S/C23H30N6/c1-23(2)10-6-11-29(15-23)22-19-17-9-12-28(13-16-7-4-3-5-8-16)14-18(17)25-21(24)20(19)26-27-22/h3-5,7-8H,6,9-15H2,1-2H3,(H2,24,25)(H,26,27)
InChIKeyIQFBTNLEWBHXJI-UHFFFAOYSA-N
MW390.54 g/mol
LogP3.72
Rot. Bonds3

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

7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine (PubChem CID 171987321) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine.

Molecular Properties

Compound Name7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine
PubChem CID171987321
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine
SMILESCC1(C)CCCN(c2n[nH]c3c(N)nc4c(c23)CCN(Cc2ccccc2)C4)C1
InChIInChI=1S/C23H30N6/c1-23(2)10-6-11-29(15-23)22-19-17-9-12-28(13-16-7-4-3-5-8-16)14-18(17)25-21(24)20(19)26-27-22/h3-5,7-8H,6,9-15H2,1-2H3,(H2,24,25)(H,26,27)
InChIKeyIQFBTNLEWBHXJI-UHFFFAOYSA-N
XLogP3.72
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-1-piperidin-1-yl-3,6,8,9-tetrahydropyrazolo[5,4-c][2,7]naphthyridin-5-amine
CID 171987424
5-(azocan-1-yl)-7-benzyl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine
CID 46887767
7-benzyl-5-morpholin-4-yl-1,6,8,9-tetrahydropyrazolo[4,3-c][2,7]naphthyridin-3-amine
CID 23932990
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
7-benzyl-2-propan-2-yl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 46953773
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171471
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
1-(7-benzyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 92565033
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
CID 10495879
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine?
The IUPAC name of 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine (CID 171987321) is 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine.
What is the SMILES notation for 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine?
The canonical SMILES for 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine is CC1(C)CCCN(c2n[nH]c3c(N)nc4c(c23)CCN(Cc2ccccc2)C4)C1.
What is the InChIKey of 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine?
The InChIKey is IQFBTNLEWBHXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-23(2)10-6-11-29(15-23)22-19-17-9-12-28(13-16-7-4-3-5-8-16)14-18(17)25-21(24)20(19)26-27-22/h3-5,7-8H,6,9-15H2,1-2H3,(H2,24,25)(H,26,27).
What are the key properties of 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine?
7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine has a molecular weight of 390.54 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(3,3-dimethylpiperidin-1-yl)-3,6,8,9-tetrahydropyrazolo[5,4-c][1,7]naphthyridin-4-amine is sourced from PubChem (CID 171987321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).