3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C25H23FN4O2S — CID 23476307

IUPAC3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccccc1-c1c2c(nc3sc(C(=O)Nc4ccccc4F)c(N)c13)CCN(C)C2
InChIInChI=1S/C25H23FN4O2S/c1-30-12-11-17-15(13-30)20(14-7-3-6-10-19(14)32-2)21-22(27)23(33-25(21)29-17)24(31)28-18-9-5-4-8-16(18)26/h3-10H,11-13,27H2,1-2H3,(H,28,31)
InChIKeyPYZOVXDICMGIEN-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.93
Rot. Bonds4

About 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 23476307) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID23476307
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccccc1-c1c2c(nc3sc(C(=O)Nc4ccccc4F)c(N)c13)CCN(C)C2
InChIInChI=1S/C25H23FN4O2S/c1-30-12-11-17-15(13-30)20(14-7-3-6-10-19(14)32-2)21-22(27)23(33-25(21)29-17)24(31)28-18-9-5-4-8-16(18)26/h3-10H,11-13,27H2,1-2H3,(H,28,31)
InChIKeyPYZOVXDICMGIEN-UHFFFAOYSA-N
XLogP4.93
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (CID 23476307) is 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is COc1ccccc1-c1c2c(nc3sc(C(=O)Nc4ccccc4F)c(N)c13)CCN(C)C2.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is PYZOVXDICMGIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-30-12-11-17-15(13-30)20(14-7-3-6-10-19(14)32-2)21-22(27)23(33-25(21)29-17)24(31)28-18-9-5-4-8-16(18)26/h3-10H,11-13,27H2,1-2H3,(H,28,31).
What are the key properties of 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 23476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).