N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one

C50H65N17O6S2 — CID 161441134

About N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one

N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one (PubChem CID 161441134) has the molecular formula C50H65N17O6S2 and a molecular weight of 1064.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one.

Molecular Properties

• Compound Name: N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one
• PubChem CID: 161441134
• Molecular Formula: C50H65N17O6S2
• Molecular Weight: 1064.32 g/mol
• Exact Mass: 1063.47
• IUPAC Name: N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one
• SMILES: Cc1cn(C)nc1CN(C)C(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.Cc1nn(C)cc1CCC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2
• InChI: InChI=1S/C25H33N9O3S.C25H32N8O3S/c1-16-12-32(3)30-19(16)13-31(2)24(35)20-14-33-7-8-34(15-21(33)27-20)25-28-18-6-11-38(36)22(18)23(29-25)26-17-4-9-37-10-5-17;1-16-17(13-31(2)30-16)3-4-21(34)20-14-32-8-9-33(15-22(32)27-20)25-28-19-7-12-37(35)23(19)24(29-25)26-18-5-10-36-11-6-18/h12,14,17H,4-11,13,15H2,1-3H3,(H,26,28,29);13-14,18H,3-12,15H2,1-2H3,(H,26,28,29)
• InChIKey: VZHCVVNAZDMNSM-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 243.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.32
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one?

The IUPAC name of N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one (CID 161441134) is N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one.

What is the SMILES notation for N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one?

The canonical SMILES for N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one is Cc1cn(C)nc1CN(C)C(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.Cc1nn(C)cc1CCC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2.

What is the InChIKey of N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one?

The InChIKey is VZHCVVNAZDMNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N9O3S.C25H32N8O3S/c1-16-12-32(3)30-19(16)13-31(2)24(35)20-14-33-7-8-34(15-21(33)27-20)25-28-18-6-11-38(36)22(18)23(29-25)26-17-4-9-37-10-5-17;1-16-17(13-31(2)30-16)3-4-21(34)20-14-32-8-9-33(15-22(32)27-20)25-28-19-7-12-37(35)23(19)24(29-25)26-18-5-10-36-11-6-18/h12,14,17H,4-11,13,15H2,1-3H3,(H,26,28,29);13-14,18H,3-12,15H2,1-2H3,(H,26,28,29).

What are the key properties of N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one?

N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one has a molecular weight of 1064.32 g/mol, XLogP of 3.07, 13 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,4-dimethylpyrazol-3-yl)methyl]-N-methyl-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-(1,3-dimethylpyrazol-4-yl)-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]propan-1-one is sourced from PubChem (CID 161441134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).