2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one

C22H24N4O2S — CID 45489142

IUPAC2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C3CC3)n(C3CCN(C(=O)c4ccccn4)CC3)c(=O)c2c1C
InChIInChI=1S/C22H24N4O2S/c1-13-14(2)29-20-18(13)22(28)26(19(24-20)15-6-7-15)16-8-11-25(12-9-16)21(27)17-5-3-4-10-23-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3
InChIKeyFTCXJUNYAWIBIP-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.82
Rot. Bonds3

About 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one

2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 45489142) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
PubChem CID45489142
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C3CC3)n(C3CCN(C(=O)c4ccccn4)CC3)c(=O)c2c1C
InChIInChI=1S/C22H24N4O2S/c1-13-14(2)29-20-18(13)22(28)26(19(24-20)15-6-7-15)16-8-11-25(12-9-16)21(27)17-5-3-4-10-23-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3
InChIKeyFTCXJUNYAWIBIP-UHFFFAOYSA-N
XLogP3.82
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one (CID 45489142) is 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(C3CC3)n(C3CCN(C(=O)c4ccccn4)CC3)c(=O)c2c1C.
What is the InChIKey of 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FTCXJUNYAWIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-13-14(2)29-20-18(13)22(28)26(19(24-20)15-6-7-15)16-8-11-25(12-9-16)21(27)17-5-3-4-10-23-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one?
2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 408.53 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6-dimethyl-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 45489142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).