N-[5-[2-(cyclobutylamino)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

About N-[5-[2-(cyclobutylamino)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-(cyclobutylamino)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 164547146) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-[5-[2-(cyclobutylamino)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-(cyclobutylamino)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	164547146
Molecular Formula	C25H28N8O2S
Molecular Weight	504.62 g/mol
Exact Mass	504.21
IUPAC Name	N-[5-[2-(cyclobutylamino)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)NCCNC2CCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12
InChI	InChI=1S/C25H28N8O2S/c1-15-20(10-16(11-28-15)23(34)27-8-7-26-17-4-2-5-17)31-24(35)19-13-30-33-14-22(36-25(19)33)18-12-29-32-9-3-6-21(18)32/h10-14,17,26H,2-9H2,1H3,(H,27,34)(H,31,35)
InChIKey	DQJSEKIOEPFPGZ-UHFFFAOYSA-N
XLogP	3.03
TPSA	118.24 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclobutylamino)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-(cyclobutylamino)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 164547146) is N-[5-[2-(cyclobutylamino)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-(cyclobutylamino)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-(cyclobutylamino)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)NCCNC2CCC2)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12.

What is the InChIKey of N-[5-[2-(cyclobutylamino)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 DQJSEKIOEPFPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-15-20(10-16(11-28-15)23(34)27-8-7-26-17-4-2-5-17)31-24(35)19-13-30-33-14-22(36-25(19)33)18-12-29-32-9-3-6-21(18)32/h10-14,17,26H,2-9H2,1H3,(H,27,34)(H,31,35).

What are the key properties of N-[5-[2-(cyclobutylamino)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-(cyclobutylamino)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 504.62 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(cyclobutylamino)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 164547146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).