N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C77H101N21O11S3 — CID 123528886

About N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 123528886) has the molecular formula C77H101N21O11S3 and a molecular weight of 1592.99 g/mol. Its IUPAC name is N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 123528886
• Molecular Formula: C77H101N21O11S3
• Molecular Weight: 1592.99 g/mol
• Exact Mass: 1591.72
• IUPAC Name: N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
• SMILES: CC(C)(CC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1.CN(C(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)C1CCOCC1.O=C(c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)N(C1CCOCC1)C1CC1
• InChI: InChI=1S/C27H33N7O3S.C26H35N7O4S.C24H33N7O4S/c1-27(2,18-3-8-28-9-4-18)15-22(35)21-16-33-10-11-34(17-23(33)30-21)26-31-20-7-14-38(36)24(20)25(32-26)29-19-5-12-37-13-6-19;34-25(33(18-1-2-18)19-5-12-37-13-6-19)21-15-31-8-9-32(16-22(31)28-21)26-29-20-7-14-38(35)23(20)24(30-26)27-17-3-10-36-11-4-17;1-29(17-4-11-35-12-5-17)23(32)19-14-30-7-8-31(15-20(30)26-19)24-27-18-6-13-36(33)21(18)22(28-24)25-16-2-9-34-10-3-16/h3-4,8-9,16,19H,5-7,10-15,17H2,1-2H3,(H,29,31,32);15,17-19H,1-14,16H2,(H,27,29,30);14,16-17H,2-13,15H2,1H3,(H,25,27,28)
• InChIKey: GZAQREKDSACTRR-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 344.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.99
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 123528886) is N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)(CC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1.CN(C(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)C1CCOCC1.O=C(c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)N(C1CCOCC1)C1CC1.

What is the InChIKey of N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is GZAQREKDSACTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3S.C26H35N7O4S.C24H33N7O4S/c1-27(2,18-3-8-28-9-4-18)15-22(35)21-16-33-10-11-34(17-23(33)30-21)26-31-20-7-14-38(36)24(20)25(32-26)29-19-5-12-37-13-6-19;34-25(33(18-1-2-18)19-5-12-37-13-6-19)21-15-31-8-9-32(16-22(31)28-21)26-29-20-7-14-38(35)23(20)24(30-26)27-17-3-10-36-11-4-17;1-29(17-4-11-35-12-5-17)23(32)19-14-30-7-8-31(15-20(30)26-19)24-27-18-6-13-36(33)21(18)22(28-24)25-16-2-9-34-10-3-16/h3-4,8-9,16,19H,5-7,10-15,17H2,1-2H3,(H,29,31,32);15,17-19H,1-14,16H2,(H,27,29,30);14,16-17H,2-13,15H2,1H3,(H,25,27,28).

What are the key properties of N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 1592.99 g/mol, XLogP of 5.82, 18 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;3-methyl-1-[7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-3-pyridin-4-ylbutan-1-one;N-methyl-N-(oxan-4-yl)-7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 123528886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).