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

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

2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 170635889) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name	2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID	170635889
Molecular Formula	C24H28N8O2S
Molecular Weight	492.61 g/mol
Exact Mass	492.21
IUPAC Name	2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILES	Cc1ncc(C(=O)NCCNC(C)C)cc1NC(=O)c1cnn2cc(-c3cnn4c3CCC4)sc12
InChI	InChI=1S/C24H28N8O2S/c1-14(2)25-6-7-26-22(33)16-9-19(15(3)27-10-16)30-23(34)18-12-29-32-13-21(35-24(18)32)17-11-28-31-8-4-5-20(17)31/h9-14,25H,4-8H2,1-3H3,(H,26,33)(H,30,34)
InChIKey	WNYGPNFXLAMUGW-UHFFFAOYSA-N
XLogP	2.89
TPSA	118.24 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	2.89
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 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 170635889) is 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

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

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

The InChIKey is WNYGPNFXLAMUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-14(2)25-6-7-26-22(33)16-9-19(15(3)27-10-16)30-23(34)18-12-29-32-13-21(35-24(18)32)17-11-28-31-8-4-5-20(17)31/h9-14,25H,4-8H2,1-3H3,(H,26,33)(H,30,34).

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

2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-N-[2-methyl-5-[2-(propan-2-ylamino)ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 170635889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).