N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C23H27N7OS — CID 118684951

About N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 118684951) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 118684951
• Molecular Formula: C23H27N7OS
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.20
• IUPAC Name: N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2(C)C
• InChI: InChI=1S/C23H27N7OS/c1-6-30-20(15-9-10-23(3,4)19(15)28-30)27-22-26-17(12-32-22)16-7-8-18(21(25-16)31-5)29-11-14(2)24-13-29/h7-8,11-13H,6,9-10H2,1-5H3,(H,26,27)
• InChIKey: QVXGQFQOUQCCDN-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 118684951) is N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cs1)CCC2(C)C.

What is the InChIKey of N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is QVXGQFQOUQCCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-6-30-20(15-9-10-23(3,4)19(15)28-30)27-22-26-17(12-32-22)16-7-8-18(21(25-16)31-5)29-11-14(2)24-13-29/h7-8,11-13H,6,9-10H2,1-5H3,(H,26,27).

What are the key properties of N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?

N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 449.58 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl)-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118684951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).