2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol

C22H23N7O2 — CID 146179033

IUPAC2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cn1
InChIInChI=1S/C22H23N7O2/c1-28(9-10-30)20-5-3-16(13-25-20)26-21-22-24-6-8-29(22)14-18(27-21)15-2-4-19-17(12-15)23-7-11-31-19/h2-6,8,12-14,23,30H,7,9-11H2,1H3,(H,26,27)
InChIKeyUKTJPWJICMXOEN-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.77
Rot. Bonds6

About 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol

2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol (PubChem CID 146179033) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol
PubChem CID146179033
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cn1
InChIInChI=1S/C22H23N7O2/c1-28(9-10-30)20-5-3-16(13-25-20)26-21-22-24-6-8-29(22)14-18(27-21)15-2-4-19-17(12-15)23-7-11-31-19/h2-6,8,12-14,23,30H,7,9-11H2,1H3,(H,26,27)
InChIKeyUKTJPWJICMXOEN-UHFFFAOYSA-N
XLogP2.77
TPSA99.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol with MolForge

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Related Compounds

6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(4-ethyl-6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 146179123
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123650289
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695669
6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 59473582
1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
CID 72695171
N-[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine
CID 72695864
(1S)-1-[4-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]ethanol
CID 90027767
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 90028354
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695668
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
6-[8-(4-pyrrolidin-1-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 134376937

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol (CID 146179033) is 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol is CN(CCO)c1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cn1.
What is the InChIKey of 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol?
The InChIKey is UKTJPWJICMXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28(9-10-30)20-5-3-16(13-25-20)26-21-22-24-6-8-29(22)14-18(27-21)15-2-4-19-17(12-15)23-7-11-31-19/h2-6,8,12-14,23,30H,7,9-11H2,1H3,(H,26,27).
What are the key properties of 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol?
2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol has a molecular weight of 417.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 146179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).