2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

C24H27N9O — CID 138588973

IUPAC2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2cc3cc(-c4cnc5n4CCNC5)cnc3cn2)ccn1
InChIInChI=1S/C24H27N9O/c1-32(2)7-6-27-21-10-16(3-4-26-21)24(34)31-22-11-17-9-18(12-28-19(17)13-29-22)20-14-30-23-15-25-5-8-33(20)23/h3-4,9-14,25H,5-8,15H2,1-2H3,(H,26,27)(H,29,31,34)
InChIKeyBBHMNSIOCUDLAM-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.22
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (PubChem CID 138588973) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
PubChem CID138588973
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2cc3cc(-c4cnc5n4CCNC5)cnc3cn2)ccn1
InChIInChI=1S/C24H27N9O/c1-32(2)7-6-27-21-10-16(3-4-26-21)24(34)31-22-11-17-9-18(12-28-19(17)13-29-22)20-14-30-23-15-25-5-8-33(20)23/h3-4,9-14,25H,5-8,15H2,1-2H3,(H,26,27)(H,29,31,34)
InChIKeyBBHMNSIOCUDLAM-UHFFFAOYSA-N
XLogP2.22
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide (CID 138588973) is 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2cc3cc(-c4cnc5n4CCNC5)cnc3cn2)ccn1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
The InChIKey is BBHMNSIOCUDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-32(2)7-6-27-21-10-16(3-4-26-21)24(34)31-22-11-17-9-18(12-28-19(17)13-29-22)20-14-30-23-15-25-5-8-33(20)23/h3-4,9-14,25H,5-8,15H2,1-2H3,(H,26,27)(H,29,31,34).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).