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

C23H29N7O2S — CID 54575617

IUPAC2-[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
SMILESCn1c(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)nc2cnccc21
InChIInChI=1S/C23H29N7O2S/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/h2,8,14-16H,3-7,9-13H2,1H3,(H,25,27,28)
InChIKeyYKSNJDFLGOKZKC-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.40
Rot. Bonds4

About 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

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 (PubChem CID 54575617) has the molecular formula C23H29N7O2S and a molecular weight of 467.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID54575617
Molecular FormulaC23H29N7O2S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name2-[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
SMILESCn1c(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)nc2cnccc21
InChIInChI=1S/C23H29N7O2S/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/h2,8,14-16H,3-7,9-13H2,1H3,(H,25,27,28)
InChIKeyYKSNJDFLGOKZKC-UHFFFAOYSA-N
XLogP2.40
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(C2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)nc2cnccc21.
What is the InChIKey of 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?
The InChIKey is YKSNJDFLGOKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S/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/h2,8,14-16H,3-7,9-13H2,1H3,(H,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 467.60 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54575617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).