N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

C27H25N5O2S — CID 74803060

IUPACN-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)C=Cc1cccs1)CCN(C(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C27H25N5O2S/c1-19-25(17-29-26(33)10-9-23-4-2-15-35-23)24-11-14-31(18-21(24)16-28-19)27(34)20-5-7-22(8-6-20)32-13-3-12-30-32/h2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,29,33)
InChIKeyQZRGHYMWTIDKMB-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.17
Rot. Bonds6

About N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide

N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 74803060) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID74803060
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC NameN-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ncc2c(c1CNC(=O)C=Cc1cccs1)CCN(C(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C27H25N5O2S/c1-19-25(17-29-26(33)10-9-23-4-2-15-35-23)24-11-14-31(18-21(24)16-28-19)27(34)20-5-7-22(8-6-20)32-13-3-12-30-32/h2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,29,33)
InChIKeyQZRGHYMWTIDKMB-UHFFFAOYSA-N
XLogP4.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[[7-(4-acetylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42378243
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74807639
N-[[3-methyl-7-[3-(pyrazol-1-ylmethyl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74497078
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
(E)-3-(2-fluorophenyl)-N-[[3-methyl-7-(1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop-2-enamide
CID 42319199
(E)-N-[[3-methyl-7-(2-pyrrolidin-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 42432655
N-[[3-methyl-7-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42479714
N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42380963
N-[[7-(1-benzofuran-2-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenylprop-2-enamide
CID 74502992
N-[[3-methyl-7-(3-methylsulfanylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170957
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide (CID 74803060) is N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is Cc1ncc2c(c1CNC(=O)C=Cc1cccs1)CCN(C(=O)c1ccc(-n3cccn3)cc1)C2.
What is the InChIKey of N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QZRGHYMWTIDKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c1-19-25(17-29-26(33)10-9-23-4-2-15-35-23)24-11-14-31(18-21(24)16-28-19)27(34)20-5-7-22(8-6-20)32-13-3-12-30-32/h2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,29,33).
What are the key properties of N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide?
N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 483.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 74803060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).