3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine

C25H26N4O2 — CID 59490448

IUPAC3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
SMILESCOc1ccc(CN2CCc3c(cnc4c3cnn4Cc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H26N4O2/c1-30-21-7-3-18(4-8-21)15-28-12-11-23-20(17-28)13-26-25-24(23)14-27-29(25)16-19-5-9-22(31-2)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3
InChIKeyGCVNUJGGPUCRFJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.06
Rot. Bonds6

About 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine

3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine (PubChem CID 59490448) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
PubChem CID59490448
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
SMILESCOc1ccc(CN2CCc3c(cnc4c3cnn4Cc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H26N4O2/c1-30-21-7-3-18(4-8-21)15-28-12-11-23-20(17-28)13-26-25-24(23)14-27-29(25)16-19-5-9-22(31-2)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3
InChIKeyGCVNUJGGPUCRFJ-UHFFFAOYSA-N
XLogP4.06
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[(4-methoxyphenyl)methyl]-N-pyrimidin-4-yl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-amine
CID 59490375
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
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)methanone
CID 46836770
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
3-[(4-methoxyphenyl)methyl]-1-methyl-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridine-7-carbonyl chloride
CID 91073110
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
4,6-dichloro-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 90391274
7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930307

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine (CID 59490448) is 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine is COc1ccc(CN2CCc3c(cnc4c3cnn4Cc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
The InChIKey is GCVNUJGGPUCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-30-21-7-3-18(4-8-21)15-28-12-11-23-20(17-28)13-26-25-24(23)14-27-29(25)16-19-5-9-22(31-2)10-6-19/h3-10,13-14H,11-12,15-17H2,1-2H3.
What are the key properties of 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine?
3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine has a molecular weight of 414.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 59490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).