N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine

C25H26N6OS — CID 11948377

IUPACN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc5c(c3)NCCS5)C4)c2n1
InChIInChI=1S/C25H26N6OS/c1-32-24-7-5-20-25(29-24)22(8-9-26-20)31-15-17-13-18(3-4-19(17)30-31)28-14-16-2-6-23-21(12-16)27-10-11-33-23/h2,5-9,12,15,18,27-28H,3-4,10-11,13-14H2,1H3
InChIKeyWFOYAANQGHZATP-UHFFFAOYSA-N
MW458.59 g/mol
LogP3.99
Rot. Bonds5

About N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine

N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 11948377) has the molecular formula C25H26N6OS and a molecular weight of 458.59 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID11948377
Molecular FormulaC25H26N6OS
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC NameN-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc5c(c3)NCCS5)C4)c2n1
InChIInChI=1S/C25H26N6OS/c1-32-24-7-5-20-25(29-24)22(8-9-26-20)31-15-17-13-18(3-4-19(17)30-31)28-14-16-2-6-23-21(12-16)27-10-11-33-23/h2,5-9,12,15,18,27-28H,3-4,10-11,13-14H2,1H3
InChIKeyWFOYAANQGHZATP-UHFFFAOYSA-N
XLogP3.99
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (CID 11948377) is N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is COc1ccc2nccc(-n3cc4c(n3)CCC(NCc3ccc5c(c3)NCCS5)C4)c2n1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is WFOYAANQGHZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS/c1-32-24-7-5-20-25(29-24)22(8-9-26-20)31-15-17-13-18(3-4-19(17)30-31)28-14-16-2-6-23-21(12-16)27-10-11-33-23/h2,5-9,12,15,18,27-28H,3-4,10-11,13-14H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 458.59 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 11948377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).