[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone

C22H26N6O2 — CID 46836770

IUPAC[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)N3CCc4c(cnc5[nH]ncc45)C3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-18-4-2-16(3-5-18)14-26-8-10-27(11-9-26)22(29)28-7-6-19-17(15-28)12-23-21-20(19)13-24-25-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,23,24,25)
InChIKeyLSNJKPQECVJBIB-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.26
Rot. Bonds3

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

[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone (PubChem CID 46836770) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
PubChem CID46836770
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)N3CCc4c(cnc5[nH]ncc45)C3)CC2)cc1
InChIInChI=1S/C22H26N6O2/c1-30-18-4-2-16(3-5-18)14-26-8-10-27(11-9-26)22(29)28-7-6-19-17(15-28)12-23-21-20(19)13-24-25-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,23,24,25)
InChIKeyLSNJKPQECVJBIB-UHFFFAOYSA-N
XLogP2.26
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
CID 91073110
2-(3-nitrophenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 160719627
3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490566
3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490448
[1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 146108730
5-hydroxy-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)pentan-1-one
CID 91366579
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
ethyl 3-isocyanatobenzoate;ethyl 3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carbonylamino)benzoate;3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carbonylamino)benzoic acid
CID 158839935
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone (CID 46836770) is [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone is COc1ccc(CN2CCN(C(=O)N3CCc4c(cnc5[nH]ncc45)C3)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone?
The InChIKey is LSNJKPQECVJBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-18-4-2-16(3-5-18)14-26-8-10-27(11-9-26)22(29)28-7-6-19-17(15-28)12-23-21-20(19)13-24-25-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,23,24,25).
What are the key properties of [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone?
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone is sourced from PubChem (CID 46836770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).