7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C22H26N8 — CID 90288434

IUPAC7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1
InChIInChI=1S/C22H26N8/c1-15(2)16-9-22(28-25-11-16)27-21-6-5-19-20(26-21)10-18(12-23-19)30-13-17(24-14-30)7-8-29(3)4/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28)
InChIKeyUXSYYNFZLCJTTI-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.58
Rot. Bonds7

About 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288434) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288434
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1
InChIInChI=1S/C22H26N8/c1-15(2)16-9-22(28-25-11-16)27-21-6-5-19-20(26-21)10-18(12-23-19)30-13-17(24-14-30)7-8-29(3)4/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28)
InChIKeyUXSYYNFZLCJTTI-UHFFFAOYSA-N
XLogP3.58
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288434) is 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1.
What is the InChIKey of 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is UXSYYNFZLCJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-15(2)16-9-22(28-25-11-16)27-21-6-5-19-20(26-21)10-18(12-23-19)30-13-17(24-14-30)7-8-29(3)4/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28).
What are the key properties of 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 402.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).