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

C26H24N6O2S — CID 118139128

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

N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 118139128) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
• PubChem CID: 118139128
• Molecular Formula: C26H24N6O2S
• Molecular Weight: 484.59 g/mol
• Exact Mass: 484.17
• IUPAC Name: N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
• SMILES: Cc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1cc2c(s1)CCOC2
• InChI: InChI=1S/C26H24N6O2S/c1-15-7-16(24-20-9-21(19-11-30-32(2)12-19)31-25(20)29-14-28-24)3-4-17(15)10-27-26(33)23-8-18-13-34-6-5-22(18)35-23/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H,27,33)(H,28,29,31)
• InChIKey: BCKAYNXMWZDZHS-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.59
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 118139128) is N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]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-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?

The canonical SMILES for N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(-c2ncnc3[nH]c(-c4cnn(C)c4)cc23)ccc1CNC(=O)c1cc2c(s1)CCOC2.

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

The InChIKey is BCKAYNXMWZDZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-15-7-16(24-20-9-21(19-11-30-32(2)12-19)31-25(20)29-14-28-24)3-4-17(15)10-27-26(33)23-8-18-13-34-6-5-22(18)35-23/h3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H,27,33)(H,28,29,31).

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

N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 484.59 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 118139128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).