2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

C21H24N6O — CID 59490810

IUPAC2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCNCC1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C21H24N6O/c28-21(19(15-4-2-1-3-5-15)26-10-7-22-8-11-26)27-9-6-17-16(14-27)12-23-20-18(17)13-24-25-20/h1-5,12-13,19,22H,6-11,14H2,(H,23,24,25)
InChIKeyJYGRLFPRGYDHQS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.49
Rot. Bonds3

About 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone

2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (PubChem CID 59490810) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
PubChem CID59490810
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
SMILESO=C(C(c1ccccc1)N1CCNCC1)N1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C21H24N6O/c28-21(19(15-4-2-1-3-5-15)26-10-7-22-8-11-26)27-9-6-17-16(14-27)12-23-20-18(17)13-24-25-20/h1-5,12-13,19,22H,6-11,14H2,(H,23,24,25)
InChIKeyJYGRLFPRGYDHQS-UHFFFAOYSA-N
XLogP1.49
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 46836698
5-hydroxy-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)pentan-1-one
CID 91366579
1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
CID 91186564
7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
CID 173071265
2-(3-nitrophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 160719627
1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-chloro-2-phenylethanone
CID 59490349
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[5,4-d]pyrimidin-5-yl)ethanone
CID 10177885
2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
CID 90909155
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
N-[3-(1H-pyrazol-5-ylcarbamoyl)phenyl]-3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490412
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
CID 46836770

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The IUPAC name of 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone (CID 59490810) is 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone.
What is the SMILES notation for 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The canonical SMILES for 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is O=C(C(c1ccccc1)N1CCNCC1)N1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
The InChIKey is JYGRLFPRGYDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19(15-4-2-1-3-5-15)26-10-7-22-8-11-26)27-9-6-17-16(14-27)12-23-20-18(17)13-24-25-20/h1-5,12-13,19,22H,6-11,14H2,(H,23,24,25).
What are the key properties of 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone?
2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone has a molecular weight of 376.46 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone is sourced from PubChem (CID 59490810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).