6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C111H117N27O11 — CID 159761845

About 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 159761845) has the molecular formula C111H117N27O11 and a molecular weight of 2005.33 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

• Compound Name: 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
• PubChem CID: 159761845
• Molecular Formula: C111H117N27O11
• Molecular Weight: 2005.33 g/mol
• Exact Mass: 2003.94
• IUPAC Name: 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
• SMILES: COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCC[C@]2(CNC(=O)O2)C1.O=C1NCCOc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCN(C6COC6)CC5)cc4)n3)cc21.c1cn2cc(-c3ccc4c(c3)CCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1.c1cn2cc(-c3cnc4c(c3)CCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1
• InChI: InChI=1S/C28H29N7O4.C28H29N7O3.C28H30N6O2.C27H29N7O2/c1-37-23-13-20(5-6-22(23)35-9-3-7-28(17-35)16-31-27(36)39-28)32-24-25-29-8-10-34(25)15-21(33-24)19-12-18-4-2-11-38-26(18)30-14-19;36-28-23-15-19(1-6-25(23)38-14-8-30-28)24-16-35-9-7-29-27(35)26(32-24)31-20-2-4-21(5-3-20)33-10-12-34(13-11-33)22-17-37-18-22;1-2-21-16-20(3-8-26(21)36-15-1)25-17-34-10-9-29-28(34)27(31-25)30-22-4-6-23(7-5-22)32-11-13-33(14-12-32)24-18-35-19-24;1-2-19-14-20(15-29-27(19)36-13-1)24-16-34-8-7-28-26(34)25(31-24)30-21-3-5-22(6-4-21)32-9-11-33(12-10-32)23-17-35-18-23/h5-6,8,10,12-15H,2-4,7,9,11,16-17H2,1H3,(H,31,36)(H,32,33);1-7,9,15-16,22H,8,10-14,17-18H2,(H,30,36)(H,31,32);3-10,16-17,24H,1-2,11-15,18-19H2,(H,30,31);3-8,14-16,23H,1-2,9-13,17-18H2,(H,30,31)/t28-;;;/m0.../s1
• InChIKey: NEZLHHOUJZIJPA-FPCIESGBSA-N
• XLogP: 14.10
• TPSA: 358.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2005.33
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?

The IUPAC name of 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 159761845) is 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

What is the SMILES notation for 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?

The canonical SMILES for 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCC[C@]2(CNC(=O)O2)C1.O=C1NCCOc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCN(C6COC6)CC5)cc4)n3)cc21.c1cn2cc(-c3ccc4c(c3)CCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1.c1cn2cc(-c3cnc4c(c3)CCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1.

What is the InChIKey of 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?

The InChIKey is NEZLHHOUJZIJPA-FPCIESGBSA-N. The full InChI is InChI=1S/C28H29N7O4.C28H29N7O3.C28H30N6O2.C27H29N7O2/c1-37-23-13-20(5-6-22(23)35-9-3-7-28(17-35)16-31-27(36)39-28)32-24-25-29-8-10-34(25)15-21(33-24)19-12-18-4-2-11-38-26(18)30-14-19;36-28-23-15-19(1-6-25(23)38-14-8-30-28)24-16-35-9-7-29-27(35)26(32-24)31-20-2-4-21(5-3-20)33-10-12-34(13-11-33)22-17-37-18-22;1-2-21-16-20(3-8-26(21)36-15-1)25-17-34-10-9-29-28(34)27(31-25)30-22-4-6-23(7-5-22)32-11-13-33(14-12-32)24-18-35-19-24;1-2-19-14-20(15-29-27(19)36-13-1)24-16-34-8-7-28-26(34)25(31-24)30-21-3-5-22(6-4-21)32-9-11-33(12-10-32)23-17-35-18-23/h5-6,8,10,12-15H,2-4,7,9,11,16-17H2,1H3,(H,31,36)(H,32,33);1-7,9,15-16,22H,8,10-14,17-18H2,(H,30,36)(H,31,32);3-10,16-17,24H,1-2,11-15,18-19H2,(H,30,31);3-8,14-16,23H,1-2,9-13,17-18H2,(H,30,31)/t28-;;;/m0.../s1.

What are the key properties of 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?

6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 2005.33 g/mol, XLogP of 14.10, 20 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydro-2H-chromen-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;(5S)-9-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;7-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 159761845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).