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

C25H25FN6OS — CID 59560623

IUPACN-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3cc5c(cc3F)SCCN5)C4)c2n1
InChIInChI=1S/C25H25FN6OS/c1-33-24-5-4-20-25(30-24)22(6-7-27-20)32-14-16-10-17(2-3-19(16)31-32)29-13-15-11-21-23(12-18(15)26)34-9-8-28-21/h4-7,11-12,14,17,28-29H,2-3,8-10,13H2,1H3
InChIKeyFUNZUKAHWDFLHP-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.13
Rot. Bonds5

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

N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 59560623) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound NameN-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID59560623
Molecular FormulaC25H25FN6OS
Molecular Weight476.58 g/mol
Exact Mass476.18
IUPAC NameN-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCc3cc5c(cc3F)SCCN5)C4)c2n1
InChIInChI=1S/C25H25FN6OS/c1-33-24-5-4-20-25(30-24)22(6-7-27-20)32-14-16-10-17(2-3-19(16)31-32)29-13-15-11-21-23(12-18(15)26)34-9-8-28-21/h4-7,11-12,14,17,28-29H,2-3,8-10,13H2,1H3
InChIKeyFUNZUKAHWDFLHP-UHFFFAOYSA-N
XLogP4.13
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-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-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine (CID 59560623) is N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is COc1ccc2nccc(-n3cc4c(n3)CCC(NCc3cc5c(cc3F)SCCN5)C4)c2n1.
What is the InChIKey of N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is FUNZUKAHWDFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c1-33-24-5-4-20-25(30-24)22(6-7-27-20)32-14-16-10-17(2-3-19(16)31-32)29-13-15-11-21-23(12-18(15)26)34-9-8-28-21/h4-7,11-12,14,17,28-29H,2-3,8-10,13H2,1H3.
What are the key properties of N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine?
N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 476.58 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-3,4-dihydro-2H-1,4-benzothiazin-6-yl)methyl]-2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 59560623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).