2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone

C27H29N7O2 — CID 160846566

IUPAC2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
SMILESCC(C)(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1
InChIInChI=1S/C27H29N7O2/c1-27(2,3)31-25-17-28-16-23(30-25)18-4-5-22-20(12-18)13-21(32-33-22)15-24(35)19-6-7-29-26(14-19)34-8-10-36-11-9-34/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,30,31)
InChIKeySISGOMIPPQNIGS-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.95
Rot. Bonds6

About 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone

2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (PubChem CID 160846566) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
PubChem CID160846566
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
SMILESCC(C)(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1
InChIInChI=1S/C27H29N7O2/c1-27(2,3)31-25-17-28-16-23(30-25)18-4-5-22-20(12-18)13-21(32-33-22)15-24(35)19-6-7-29-26(14-19)34-8-10-36-11-9-34/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,30,31)
InChIKeySISGOMIPPQNIGS-UHFFFAOYSA-N
XLogP3.95
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone with MolForge

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Related Compounds

2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159029466
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 160710808
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 161228089
2-[6-[6-(tert-butylamino)pyrazin-2-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 148639334
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
CID 159421028
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]ethanone
CID 159037627
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157303502
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)cinnolin-3-yl]ethanone
CID 158755654
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The IUPAC name of 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (CID 160846566) is 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The canonical SMILES for 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone is CC(C)(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4ccnc(N5CCOCC5)c4)cc3c2)n1.
What is the InChIKey of 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The InChIKey is SISGOMIPPQNIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-27(2,3)31-25-17-28-16-23(30-25)18-4-5-22-20(12-18)13-21(32-33-22)15-24(35)19-6-7-29-26(14-19)34-8-10-36-11-9-34/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H,30,31).
What are the key properties of 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone has a molecular weight of 483.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 160846566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).