7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol

C27H30N8O4 — CID 123641240

IUPAC7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NC(O)CO4)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C27H30N8O4/c1-37-23-11-18(2-3-22(23)34-8-6-33(7-9-34)19-14-38-15-19)30-25-26-28-4-5-35(26)13-21(32-25)17-10-20-27(29-12-17)39-16-24(36)31-20/h2-5,10-13,19,24,31,36H,6-9,14-16H2,1H3,(H,30,32)
InChIKeyHCISBYMINFKUFT-UHFFFAOYSA-N
MW530.59 g/mol
LogP2.19
Rot. Bonds6

About 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol

7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol (PubChem CID 123641240) has the molecular formula C27H30N8O4 and a molecular weight of 530.59 g/mol. Its IUPAC name is 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol.

Molecular Properties

Compound Name7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol
PubChem CID123641240
Molecular FormulaC27H30N8O4
Molecular Weight530.59 g/mol
Exact Mass530.24
IUPAC Name7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NC(O)CO4)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C27H30N8O4/c1-37-23-11-18(2-3-22(23)34-8-6-33(7-9-34)19-14-38-15-19)30-25-26-28-4-5-35(26)13-21(32-25)17-10-20-27(29-12-17)39-16-24(36)31-20/h2-5,10-13,19,24,31,36H,6-9,14-16H2,1H3,(H,30,32)
InChIKeyHCISBYMINFKUFT-UHFFFAOYSA-N
XLogP2.19
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol?
The IUPAC name of 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol (CID 123641240) is 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol.
What is the SMILES notation for 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol?
The canonical SMILES for 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol is COc1cc(Nc2nc(-c3cnc4c(c3)NC(O)CO4)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.
What is the InChIKey of 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol?
The InChIKey is HCISBYMINFKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O4/c1-37-23-11-18(2-3-22(23)34-8-6-33(7-9-34)19-14-38-15-19)30-25-26-28-4-5-35(26)13-21(32-25)17-10-20-27(29-12-17)39-16-24(36)31-20/h2-5,10-13,19,24,31,36H,6-9,14-16H2,1H3,(H,30,32).
What are the key properties of 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol?
7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol has a molecular weight of 530.59 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-2-ol is sourced from PubChem (CID 123641240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).