[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine

C28H27N7O — CID 58524701

IUPAC[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4n[nH]c(CN5CCOCC5)n4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H27N7O/c29-17-19-6-8-21(9-7-19)26-22(20-4-2-1-3-5-20)16-23-24(31-26)10-11-30-27(23)28-32-25(33-34-28)18-35-12-14-36-15-13-35/h1-11,16H,12-15,17-18,29H2,(H,32,33,34)
InChIKeyMBSKTLGKGNUMHZ-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.04
Rot. Bonds6

About [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine

[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine (PubChem CID 58524701) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
PubChem CID58524701
Molecular FormulaC28H27N7O
Molecular Weight477.57 g/mol
Exact Mass477.23
IUPAC Name[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4n[nH]c(CN5CCOCC5)n4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C28H27N7O/c29-17-19-6-8-21(9-7-19)26-22(20-4-2-1-3-5-20)16-23-24(31-26)10-11-30-27(23)28-32-25(33-34-28)18-35-12-14-36-15-13-35/h1-11,16H,12-15,17-18,29H2,(H,32,33,34)
InChIKeyMBSKTLGKGNUMHZ-UHFFFAOYSA-N
XLogP4.04
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine (CID 58524701) is [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine is NCc1ccc(-c2nc3ccnc(-c4n[nH]c(CN5CCOCC5)n4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
The InChIKey is MBSKTLGKGNUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c29-17-19-6-8-21(9-7-19)26-22(20-4-2-1-3-5-20)16-23-24(31-26)10-11-30-27(23)28-32-25(33-34-28)18-35-12-14-36-15-13-35/h1-11,16H,12-15,17-18,29H2,(H,32,33,34).
What are the key properties of [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine?
[4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine has a molecular weight of 477.57 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[5-(morpholin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine is sourced from PubChem (CID 58524701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).