N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide

C24H24N8O2 — CID 146373249

IUPACN,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCN(C(=O)c3c(-c4ccccc4)nc4cccnn34)CC2)cn1
InChIInChI=1S/C24H24N8O2/c1-29(2)23(33)18-15-26-20(16-25-18)30-11-13-31(14-12-30)24(34)22-21(17-7-4-3-5-8-17)28-19-9-6-10-27-32(19)22/h3-10,15-16H,11-14H2,1-2H3
InChIKeyTYAGBWZHGZGWHZ-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.85
Rot. Bonds4

About N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide

N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 146373249) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
PubChem CID146373249
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCN(C(=O)c3c(-c4ccccc4)nc4cccnn34)CC2)cn1
InChIInChI=1S/C24H24N8O2/c1-29(2)23(33)18-15-26-20(16-25-18)30-11-13-31(14-12-30)24(34)22-21(17-7-4-3-5-8-17)28-19-9-6-10-27-32(19)22/h3-10,15-16H,11-14H2,1-2H3
InChIKeyTYAGBWZHGZGWHZ-UHFFFAOYSA-N
XLogP1.85
TPSA99.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(2-phenylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 146373245
N,N-dimethyl-5-[4-(7-methyl-6-phenyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 146373484
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53040756
4-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278769
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide (CID 146373249) is N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide is CN(C)C(=O)c1cnc(N2CCN(C(=O)c3c(-c4ccccc4)nc4cccnn34)CC2)cn1.
What is the InChIKey of N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is TYAGBWZHGZGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-29(2)23(33)18-15-26-20(16-25-18)30-11-13-31(14-12-30)24(34)22-21(17-7-4-3-5-8-17)28-19-9-6-10-27-32(19)22/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide?
N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-(2-phenylimidazo[1,2-b]pyridazine-3-carbonyl)piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146373249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).