5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C22H28N6O2S — CID 58413325

IUPAC5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C22H28N6O2S/c1-13(2)30-21-16(6-5-9-23-21)27-19-17-14(3)18(31-22(17)25-12-24-19)20(29)26-15-7-10-28(4)11-8-15/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyPCHFQIOJBGEPPG-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.75
Rot. Bonds6

About 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413325) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413325
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C22H28N6O2S/c1-13(2)30-21-16(6-5-9-23-21)27-19-17-14(3)18(31-22(17)25-12-24-19)20(29)26-15-7-10-28(4)11-8-15/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyPCHFQIOJBGEPPG-UHFFFAOYSA-N
XLogP3.75
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide 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 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413325) is 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCN(C)CC2)sc2ncnc(Nc3cccnc3OC(C)C)c12.
What is the InChIKey of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PCHFQIOJBGEPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-13(2)30-21-16(6-5-9-23-21)27-19-17-14(3)18(31-22(17)25-12-24-19)20(29)26-15-7-10-28(4)11-8-15/h5-6,9,12-13,15H,7-8,10-11H2,1-4H3,(H,26,29)(H,24,25,27).
What are the key properties of 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpiperidin-4-yl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).