9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide

C22H31N7O — CID 44819848

IUPAC9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(N(C)C)cnc12
InChIInChI=1S/C22H31N7O/c1-6-27(7-2)22(30)18-19(28-13-11-26(5)12-14-28)16-9-8-10-23-20(16)29-17(25(3)4)15-24-21(18)29/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyZDCKSHVBKNIZGG-UHFFFAOYSA-N
MW409.54 g/mol
LogP2.18
Rot. Bonds5

About 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide

9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 44819848) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID44819848
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC Name9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(N(C)C)cnc12
InChIInChI=1S/C22H31N7O/c1-6-27(7-2)22(30)18-19(28-13-11-26(5)12-14-28)16-9-8-10-23-20(16)29-17(25(3)4)15-24-21(18)29/h8-10,15H,6-7,11-14H2,1-5H3
InChIKeyZDCKSHVBKNIZGG-UHFFFAOYSA-N
XLogP2.18
TPSA60.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 44819848) is 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide is CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(N(C)C)cnc12.
What is the InChIKey of 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is ZDCKSHVBKNIZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-6-27(7-2)22(30)18-19(28-13-11-26(5)12-14-28)16-9-8-10-23-20(16)29-17(25(3)4)15-24-21(18)29/h8-10,15H,6-7,11-14H2,1-5H3.
What are the key properties of 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide?
9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 409.54 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-N,N-diethyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 44819848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).