3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine

C21H21N7O — CID 59490375

IUPAC3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(Nc2ccncn2)CC4)cc1
InChIInChI=1S/C21H21N7O/c1-29-17-4-2-15(3-5-17)12-28-21-19(11-25-28)18-7-9-27(13-16(18)10-23-21)26-20-6-8-22-14-24-20/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,22,24,26)
InChIKeyXRZAVWUYOJOHGK-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.66
Rot. Bonds5

About 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine

3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine (PubChem CID 59490375) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine
PubChem CID59490375
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(Nc2ccncn2)CC4)cc1
InChIInChI=1S/C21H21N7O/c1-29-17-4-2-15(3-5-17)12-28-21-19(11-25-28)18-7-9-27(13-16(18)10-23-21)26-20-6-8-22-14-24-20/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,22,24,26)
InChIKeyXRZAVWUYOJOHGK-UHFFFAOYSA-N
XLogP2.66
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490448
7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490619
3-[(4-methoxyphenyl)methyl]-N-phenyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490566
5-[(4-methoxyphenyl)methyl]-4,5,7-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaene
CID 59490743
3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
CID 91073110
4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxyaniline
CID 59398527
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
CID 46836770
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
6-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 150500294
tert-butyl N-[(3E)-3-(dimethylaminomethylidene)-4-oxocyclohexyl]carbamate;tert-butyl N-[3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinolin-7-yl]carbamate;tert-butyl N-(4-oxocyclohexyl)carbamate;2-[(4-methoxyphenyl)methyl]pyrazol-3-amine;bis(3-[(4-methoxyphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[3,4-c]isoquinolin-7-amine)
CID 161045771
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
14-[(4-methoxyphenyl)methyl]-5-methylsulfanyl-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaene;14-[(4-methoxyphenyl)methyl]-5-methylsulfonyl-4,6,12,14,15-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,10,12,15-heptaene
CID 158526453

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine (CID 59490375) is 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine is COc1ccc(Cn2ncc3c4c(cnc32)CN(Nc2ccncn2)CC4)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine?
The InChIKey is XRZAVWUYOJOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-29-17-4-2-15(3-5-17)12-28-21-19(11-25-28)18-7-9-27(13-16(18)10-23-21)26-20-6-8-22-14-24-20/h2-6,8,10-11,14H,7,9,12-13H2,1H3,(H,22,24,26).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine?
3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine has a molecular weight of 387.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine is sourced from PubChem (CID 59490375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).