N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H30N8O2S — CID 170636046

About N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170636046) has the molecular formula C27H30N8O2S and a molecular weight of 530.66 g/mol. Its IUPAC name is N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 170636046
• Molecular Formula: C27H30N8O2S
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.22
• IUPAC Name: N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CC3CCC3C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12
• InChI: InChI=1S/C27H30N8O2S/c1-16-22(9-19(10-29-16)25(36)28-6-8-33-13-17-4-5-18(17)14-33)32-26(37)21-12-31-35-15-24(38-27(21)35)20-11-30-34-7-2-3-23(20)34/h9-12,15,17-18H,2-8,13-14H2,1H3,(H,28,36)(H,32,37)
• InChIKey: MYYRPBAIXKTVAC-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170636046) is N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CC3CCC3C2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12.

What is the InChIKey of N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is MYYRPBAIXKTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2S/c1-16-22(9-19(10-29-16)25(36)28-6-8-33-13-17-4-5-18(17)14-33)32-26(37)21-12-31-35-15-24(38-27(21)35)20-11-30-34-7-2-3-23(20)34/h9-12,15,17-18H,2-8,13-14H2,1H3,(H,28,36)(H,32,37).

What are the key properties of N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 530.66 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170636046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).