1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C26H23N7O3 — CID 136636653

IUPAC1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H23N7O3/c1-4-32-14-19(23(35)18-11-10-15(2)27-24(18)32)25(36)29-21-13-20(17-8-6-5-7-9-17)31-33(21)26-28-16(3)12-22(34)30-26/h5-14H,4H2,1-3H3,(H,29,36)(H,28,30,34)
InChIKeyXTZJBIAKKBKGEQ-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.22
Rot. Bonds5

About 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 136636653) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID136636653
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C26H23N7O3/c1-4-32-14-19(23(35)18-11-10-15(2)27-24(18)32)25(36)29-21-13-20(17-8-6-5-7-9-17)31-33(21)26-28-16(3)12-22(34)30-26/h5-14H,4H2,1-3H3,(H,29,36)(H,28,30,34)
InChIKeyXTZJBIAKKBKGEQ-UHFFFAOYSA-N
XLogP3.22
TPSA127.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
CID 136636678
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
CID 136636669
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
2-(2-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636673
methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate
CID 85081023
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
1-ethyl-N-(5-fluoro-2-methylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087079
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137
2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636670

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 136636653) is 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nc2cc(-c3ccccc3)nn2-c2nc(C)cc(=O)[nH]2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XTZJBIAKKBKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c1-4-32-14-19(23(35)18-11-10-15(2)27-24(18)32)25(36)29-21-13-20(17-8-6-5-7-9-17)31-33(21)26-28-16(3)12-22(34)30-26/h5-14H,4H2,1-3H3,(H,29,36)(H,28,30,34).
What are the key properties of 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 136636653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).