7-[4-(2-aminoethyl)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

C42H48N16 — CID 160652404

IUPAC7-[4-(2-aminoethyl)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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN)c4)cc3n2)c1
InChIInChI=1S/C22H26N8.C20H22N8/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;1-13(2)14-7-20(27-24-9-14)26-19-4-3-17-18(25-19)8-16(10-22-17)28-11-15(5-6-21)23-12-28/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28);3-4,7-13H,5-6,21H2,1-2H3,(H,25,26,27)
InChIKeyRKPGIIQJAQNVHD-UHFFFAOYSA-N
MW776.96 g/mol
LogP6.55
Rot. Bonds13

About 7-[4-(2-aminoethyl)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

7-[4-(2-aminoethyl)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 160652404) has the molecular formula C42H48N16 and a molecular weight of 776.96 g/mol. Its IUPAC name is 7-[4-(2-aminoethyl)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.

Molecular Properties

Compound Name7-[4-(2-aminoethyl)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 CID160652404
Molecular FormulaC42H48N16
Molecular Weight776.96 g/mol
Exact Mass776.42
IUPAC Name7-[4-(2-aminoethyl)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
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN)c4)cc3n2)c1
InChIInChI=1S/C22H26N8.C20H22N8/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;1-13(2)14-7-20(27-24-9-14)26-19-4-3-17-18(25-19)8-16(10-22-17)28-11-15(5-6-21)23-12-28/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28);3-4,7-13H,5-6,21H2,1-2H3,(H,25,26,27)
InChIKeyRKPGIIQJAQNVHD-UHFFFAOYSA-N
XLogP6.55
TPSA192.08 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.96
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 7-[4-(2-aminoethyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-aminoethyl)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?
The IUPAC name of 7-[4-(2-aminoethyl)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 (CID 160652404) is 7-[4-(2-aminoethyl)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.
What is the SMILES notation for 7-[4-(2-aminoethyl)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?
The canonical SMILES for 7-[4-(2-aminoethyl)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 is CC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN(C)C)c4)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(-n4cnc(CCN)c4)cc3n2)c1.
What is the InChIKey of 7-[4-(2-aminoethyl)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?
The InChIKey is RKPGIIQJAQNVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8.C20H22N8/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;1-13(2)14-7-20(27-24-9-14)26-19-4-3-17-18(25-19)8-16(10-22-17)28-11-15(5-6-21)23-12-28/h5-6,9-15H,7-8H2,1-4H3,(H,26,27,28);3-4,7-13H,5-6,21H2,1-2H3,(H,25,26,27).
What are the key properties of 7-[4-(2-aminoethyl)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?
7-[4-(2-aminoethyl)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 776.96 g/mol, XLogP of 6.55, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-aminoethyl)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 is sourced from PubChem (CID 160652404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).