2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C23H33N7O2S — CID 90360813

IUPAC2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN1C2=C(CNC=C2)NC1C1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1
InChIInChI=1S/C23H33N7O2S/c1-29-19-2-8-24-14-18(19)26-22(29)15-3-9-30(10-4-15)23-27-17-7-13-33(31)20(17)21(28-23)25-16-5-11-32-12-6-16/h2,8,15-16,22,24,26H,3-7,9-14H2,1H3,(H,25,27,28)
InChIKeyCJOANEJRRRPXHS-UHFFFAOYSA-N
MW471.63 g/mol
LogP1.14
Rot. Bonds4

About 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 90360813) has the molecular formula C23H33N7O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID90360813
Molecular FormulaC23H33N7O2S
Molecular Weight471.63 g/mol
Exact Mass471.24
IUPAC Name2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN1C2=C(CNC=C2)NC1C1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1
InChIInChI=1S/C23H33N7O2S/c1-29-19-2-8-24-14-18(19)26-22(29)15-3-9-30(10-4-15)23-27-17-7-13-33(31)20(17)21(28-23)25-16-5-11-32-12-6-16/h2,8,15-16,22,24,26H,3-7,9-14H2,1H3,(H,25,27,28)
InChIKeyCJOANEJRRRPXHS-UHFFFAOYSA-N
XLogP1.14
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[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 90360813) is 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CN1C2=C(CNC=C2)NC1C1CCN(c2nc3c(c(NC4CCOCC4)n2)S(=O)CC3)CC1.
What is the InChIKey of 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CJOANEJRRRPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2S/c1-29-19-2-8-24-14-18(19)26-22(29)15-3-9-30(10-4-15)23-27-17-7-13-33(31)20(17)21(28-23)25-16-5-11-32-12-6-16/h2,8,15-16,22,24,26H,3-7,9-14H2,1H3,(H,25,27,28).
What are the key properties of 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 471.63 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).