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

C27H34N8O3S — CID 143791539

IUPAC7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(CNC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1
InChIInChI=1S/C27H34N8O3S/c1-27(2,18-3-8-28-9-4-18)33-25(36)22-16-34-10-11-35(17-23(34)30-22)26-31-20-7-14-39(37)24(20)21(32-26)15-29-19-5-12-38-13-6-19/h3-4,8-9,16,19,29H,5-7,10-15,17H2,1-2H3,(H,33,36)
InChIKeyZYGRPTPXLLVPBA-UHFFFAOYSA-N
MW550.69 g/mol
LogP1.69
Rot. Bonds7

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

7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 143791539) has the molecular formula C27H34N8O3S and a molecular weight of 550.69 g/mol. Its IUPAC name is 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID143791539
Molecular FormulaC27H34N8O3S
Molecular Weight550.69 g/mol
Exact Mass550.25
IUPAC Name7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(CNC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1
InChIInChI=1S/C27H34N8O3S/c1-27(2,18-3-8-28-9-4-18)33-25(36)22-16-34-10-11-35(17-23(34)30-22)26-31-20-7-14-39(37)24(20)21(32-26)15-29-19-5-12-38-13-6-19/h3-4,8-9,16,19,29H,5-7,10-15,17H2,1-2H3,(H,33,36)
InChIKeyZYGRPTPXLLVPBA-UHFFFAOYSA-N
XLogP1.69
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[5-[1-(oxan-4-yl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160942
US10696692, Example 224
CID 89795562
US11352340, Example 254
CID 129315641
US20240374606, Example 197
CID 166484741
US20240374606, Example 194
CID 166484752
US20240374606, Example 196
CID 166484952
US20240374606, Example 195
CID 166485055
US20240374606, Example 187
CID 169587165
7-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 25263656
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
2-[4-(1-methylimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 54575617
N-(oxan-4-yl)-5-oxo-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 58117773

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 143791539) is 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(CNC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1.
What is the InChIKey of 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZYGRPTPXLLVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3S/c1-27(2,18-3-8-28-9-4-18)33-25(36)22-16-34-10-11-35(17-23(34)30-22)26-31-20-7-14-39(37)24(20)21(32-26)15-29-19-5-12-38-13-6-19/h3-4,8-9,16,19,29H,5-7,10-15,17H2,1-2H3,(H,33,36).
What are the key properties of 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 550.69 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(oxan-4-ylamino)methyl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-N-(2-pyridin-4-ylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 143791539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).