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

C26H32N8O3S — CID 25263656

IUPAC7-[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
SMILESCC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1
InChIInChI=1S/C26H32N8O3S/c1-26(2,17-3-8-27-9-4-17)32-24(35)20-15-33-10-11-34(16-21(33)29-20)25-30-19-7-14-38(36)22(19)23(31-25)28-18-5-12-37-13-6-18/h3-4,8-9,15,18H,5-7,10-14,16H2,1-2H3,(H,32,35)(H,28,30,31)
InChIKeyBRYWWZPIEFULDB-UHFFFAOYSA-N
MW536.66 g/mol
LogP2.01
Rot. Bonds6

About 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

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 (PubChem CID 25263656) has the molecular formula C26H32N8O3S and a molecular weight of 536.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID25263656
Molecular FormulaC26H32N8O3S
Molecular Weight536.66 g/mol
Exact Mass536.23
IUPAC Name7-[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
SMILESCC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1
InChIInChI=1S/C26H32N8O3S/c1-26(2,17-3-8-27-9-4-17)32-24(35)20-15-33-10-11-34(16-21(33)29-20)25-30-19-7-14-38(36)22(19)23(31-25)28-18-5-12-37-13-6-18/h3-4,8-9,15,18H,5-7,10-14,16H2,1-2H3,(H,32,35)(H,28,30,31)
InChIKeyBRYWWZPIEFULDB-UHFFFAOYSA-N
XLogP2.01
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.66
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(NC(=O)c1cn2c(n1)CN(c1nc3c(c(NC4CCOCC4)n1)S(=O)CC3)CC2)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is BRYWWZPIEFULDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3S/c1-26(2,17-3-8-27-9-4-17)32-24(35)20-15-33-10-11-34(16-21(33)29-20)25-30-19-7-14-38(36)22(19)23(31-25)28-18-5-12-37-13-6-18/h3-4,8-9,15,18H,5-7,10-14,16H2,1-2H3,(H,32,35)(H,28,30,31).
What are the key properties of 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?
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 has a molecular weight of 536.66 g/mol, XLogP of 2.01, 6 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)-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 25263656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).