[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

C28H23N7 — CID 15980490

IUPAC[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5n[nH]c6c5CCC6)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H23N7/c29-16-17-9-11-19(12-10-17)25-21(18-5-2-1-3-6-18)15-22-23(30-25)13-14-35-27(22)33-34-28(35)26-20-7-4-8-24(20)31-32-26/h1-3,5-6,9-15H,4,7-8,16,29H2,(H,31,32)
InChIKeyJZJVLSQKSSHXFI-UHFFFAOYSA-N
MW457.54 g/mol
LogP4.95
Rot. Bonds4

About [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (PubChem CID 15980490) has the molecular formula C28H23N7 and a molecular weight of 457.54 g/mol. Its IUPAC name is [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
PubChem CID15980490
Molecular FormulaC28H23N7
Molecular Weight457.54 g/mol
Exact Mass457.20
IUPAC Name[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5n[nH]c6c5CCC6)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H23N7/c29-16-17-9-11-19(12-10-17)25-21(18-5-2-1-3-6-18)15-22-23(30-25)13-14-35-27(22)33-34-28(35)26-20-7-4-8-24(20)31-32-26/h1-3,5-6,9-15H,4,7-8,16,29H2,(H,31,32)
InChIKeyJZJVLSQKSSHXFI-UHFFFAOYSA-N
XLogP4.95
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The IUPAC name of [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (CID 15980490) is [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine.
What is the SMILES notation for [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The canonical SMILES for [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is NCc1ccc(-c2nc3ccn4c(-c5n[nH]c6c5CCC6)nnc4c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The InChIKey is JZJVLSQKSSHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7/c29-16-17-9-11-19(12-10-17)25-21(18-5-2-1-3-6-18)15-22-23(30-25)13-14-35-27(22)33-34-28(35)26-20-7-4-8-24(20)31-32-26/h1-3,5-6,9-15H,4,7-8,16,29H2,(H,31,32).
What are the key properties of [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine has a molecular weight of 457.54 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is sourced from PubChem (CID 15980490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).