N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide

C26H25N5O3S — CID 42423705

IUPACN-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)c4ccsc4)C3)[nH]n2)cc1
InChIInChI=1S/C26H25N5O3S/c1-16-22(13-28-25(32)18-8-10-35-15-18)21-7-9-31(14-19(21)12-27-16)26(33)24-11-23(29-30-24)17-3-5-20(34-2)6-4-17/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyYNBWHTVBLBTKHX-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.98
Rot. Bonds6

About N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide

N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 42423705) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
PubChem CID42423705
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)c4ccsc4)C3)[nH]n2)cc1
InChIInChI=1S/C26H25N5O3S/c1-16-22(13-28-25(32)18-8-10-35-15-18)21-7-9-31(14-19(21)12-27-16)26(33)24-11-23(29-30-24)17-3-5-20(34-2)6-4-17/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyYNBWHTVBLBTKHX-UHFFFAOYSA-N
XLogP3.98
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide (CID 42423705) is N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide is COc1ccc(-c2cc(C(=O)N3CCc4c(cnc(C)c4CNC(=O)c4ccsc4)C3)[nH]n2)cc1.
What is the InChIKey of N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is YNBWHTVBLBTKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-16-22(13-28-25(32)18-8-10-35-15-18)21-7-9-31(14-19(21)12-27-16)26(33)24-11-23(29-30-24)17-3-5-20(34-2)6-4-17/h3-6,8,10-12,15H,7,9,13-14H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide?
N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 42423705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).