N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide

C18H17N7O — CID 138587202

IUPACN-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cc3cc(-c4cncn4C)cnc3cn2)cn1
InChIInChI=1S/C18H17N7O/c1-24-11-19-9-16(24)14-4-13-5-17(21-8-15(13)20-7-14)23-18(26)3-12-6-22-25(2)10-12/h4-11H,3H2,1-2H3,(H,21,23,26)
InChIKeyKTEBPDSMFZXRKB-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.95
Rot. Bonds4

About N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide

N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 138587202) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID138587202
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cc3cc(-c4cncn4C)cnc3cn2)cn1
InChIInChI=1S/C18H17N7O/c1-24-11-19-9-16(24)14-4-13-5-17(21-8-15(13)20-7-14)23-18(26)3-12-6-22-25(2)10-12/h4-11H,3H2,1-2H3,(H,21,23,26)
InChIKeyKTEBPDSMFZXRKB-UHFFFAOYSA-N
XLogP1.95
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide (CID 138587202) is N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)Nc2cc3cc(-c4cncn4C)cnc3cn2)cn1.
What is the InChIKey of N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is KTEBPDSMFZXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24-11-19-9-16(24)14-4-13-5-17(21-8-15(13)20-7-14)23-18(26)3-12-6-22-25(2)10-12/h4-11H,3H2,1-2H3,(H,21,23,26).
What are the key properties of N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 138587202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).