N-methyl-N-(1-methylpiperidin-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

C25H36N8O3S — CID 25265752

IUPACN-methyl-N-(1-methylpiperidin-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
SMILESCN1CCC(N(C)C(=O)c2cn3c(n2)CN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)CC3)CC1
InChIInChI=1S/C25H36N8O3S/c1-30-8-3-18(4-9-30)31(2)24(34)20-15-32-10-11-33(16-21(32)27-20)25-28-19-7-14-37(35)22(19)23(29-25)26-17-5-12-36-13-6-17/h15,17-18H,3-14,16H2,1-2H3,(H,26,28,29)
InChIKeyOGQUGZAKUYMXLB-UHFFFAOYSA-N
MW528.68 g/mol
LogP1.11
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-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-methyl-N-(1-methylpiperidin-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 25265752) has the molecular formula C25H36N8O3S and a molecular weight of 528.68 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-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 NameN-methyl-N-(1-methylpiperidin-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 CID25265752
Molecular FormulaC25H36N8O3S
Molecular Weight528.68 g/mol
Exact Mass528.26
IUPAC NameN-methyl-N-(1-methylpiperidin-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
SMILESCN1CCC(N(C)C(=O)c2cn3c(n2)CN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)CC3)CC1
InChIInChI=1S/C25H36N8O3S/c1-30-8-3-18(4-9-30)31(2)24(34)20-15-32-10-11-33(16-21(32)27-20)25-28-19-7-14-37(35)22(19)23(29-25)26-17-5-12-36-13-6-17/h15,17-18H,3-14,16H2,1-2H3,(H,26,28,29)
InChIKeyOGQUGZAKUYMXLB-UHFFFAOYSA-N
XLogP1.11
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.68
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-methyl-N-(1-methylpiperidin-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-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-methyl-N-(1-methylpiperidin-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 25265752) is N-methyl-N-(1-methylpiperidin-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-methyl-N-(1-methylpiperidin-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-methyl-N-(1-methylpiperidin-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 CN1CCC(N(C)C(=O)c2cn3c(n2)CN(c2nc4c(c(NC5CCOCC5)n2)S(=O)CC4)CC3)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-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 OGQUGZAKUYMXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N8O3S/c1-30-8-3-18(4-9-30)31(2)24(34)20-15-32-10-11-33(16-21(32)27-20)25-28-19-7-14-37(35)22(19)23(29-25)26-17-5-12-36-13-6-17/h15,17-18H,3-14,16H2,1-2H3,(H,26,28,29).
What are the key properties of N-methyl-N-(1-methylpiperidin-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-methyl-N-(1-methylpiperidin-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 528.68 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-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 25265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).