N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C24H24N6O2S — CID 118139417

About N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139417) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
• PubChem CID: 118139417
• Molecular Formula: C24H24N6O2S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
• SMILES: Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cc2c(s1)CCOC2
• InChI: InChI=1S/C24H24N6O2S/c1-15-9-16(20-5-7-25-24(29-20)28-19-12-27-30(2)13-19)3-4-17(15)11-26-23(31)22-10-18-14-32-8-6-21(18)33-22/h3-5,7,9-10,12-13H,6,8,11,14H2,1-2H3,(H,26,31)(H,25,28,29)
• InChIKey: VEABNVMWSVOWKP-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?

The IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139417) is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

What is the SMILES notation for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?

The canonical SMILES for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cc2c(s1)CCOC2.

What is the InChIKey of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?

The InChIKey is VEABNVMWSVOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-15-9-16(20-5-7-25-24(29-20)28-19-12-27-30(2)13-19)3-4-17(15)11-26-23(31)22-10-18-14-32-8-6-21(18)33-22/h3-5,7,9-10,12-13H,6,8,11,14H2,1-2H3,(H,26,31)(H,25,28,29).

What are the key properties of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?

N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).