2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine

C25H27N5O — CID 11948400

IUPAC2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCCCc3ccccc3)C4)c2n1
InChIInChI=1S/C25H27N5O/c1-31-24-12-11-22-25(28-24)23(13-15-27-22)30-17-19-16-20(9-10-21(19)29-30)26-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,11-13,15,17,20,26H,5,8-10,14,16H2,1H3
InChIKeyBVTOOTVTOCQTOZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.90
Rot. Bonds7

About 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine

2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 11948400) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID11948400
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCCCc3ccccc3)C4)c2n1
InChIInChI=1S/C25H27N5O/c1-31-24-12-11-22-25(28-24)23(13-15-27-22)30-17-19-16-20(9-10-21(19)29-30)26-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,11-13,15,17,20,26H,5,8-10,14,16H2,1H3
InChIKeyBVTOOTVTOCQTOZ-UHFFFAOYSA-N
XLogP3.90
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine (CID 11948400) is 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine is COc1ccc2nccc(-n3cc4c(n3)CCC(NCCCc3ccccc3)C4)c2n1.
What is the InChIKey of 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is BVTOOTVTOCQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-31-24-12-11-22-25(28-24)23(13-15-27-22)30-17-19-16-20(9-10-21(19)29-30)26-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,11-13,15,17,20,26H,5,8-10,14,16H2,1H3.
What are the key properties of 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine?
2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 413.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,5-naphthyridin-4-yl)-N-(3-phenylpropyl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 11948400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).