N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide

C29H32N8OS — CID 118139138

About N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide

N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 118139138) has the molecular formula C29H32N8OS and a molecular weight of 540.70 g/mol. Its IUPAC name is N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 118139138
• Molecular Formula: C29H32N8OS
• Molecular Weight: 540.70 g/mol
• Exact Mass: 540.24
• IUPAC Name: N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CN(C)CC5)cc23)ccc1CN(C(=O)c1cncs1)C(C)(C)C
• InChI: InChI=1S/C29H32N8OS/c1-18-10-19(6-7-20(18)14-36(29(2,3)4)28(38)25-13-30-17-39-25)26-21-11-23(34-27(21)32-16-31-26)22-12-33-37-9-8-35(5)15-24(22)37/h6-7,10-13,16-17H,8-9,14-15H2,1-5H3,(H,31,32,34)
• InChIKey: GIPWGPOVRMGMNO-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 95.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.70
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 118139138) is N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1cc(-c2ncnc3[nH]c(-c4cnn5c4CN(C)CC5)cc23)ccc1CN(C(=O)c1cncs1)C(C)(C)C.

What is the InChIKey of N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is GIPWGPOVRMGMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8OS/c1-18-10-19(6-7-20(18)14-36(29(2,3)4)28(38)25-13-30-17-39-25)26-21-11-23(34-27(21)32-16-31-26)22-12-33-37-9-8-35(5)15-24(22)37/h6-7,10-13,16-17H,8-9,14-15H2,1-5H3,(H,31,32,34).

What are the key properties of N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 540.70 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[[2-methyl-4-[6-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118139138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).