methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate

C26H24N4O2S — CID 123275801

About methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate

methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 123275801) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate
• PubChem CID: 123275801
• Molecular Formula: C26H24N4O2S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.16
• IUPAC Name: methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)CCC2c1ncc(-c2cc(C)cc(Nc3cc(C)ccn3)n2)s1
• InChI: InChI=1S/C26H24N4O2S/c1-15-8-9-27-23(11-15)30-24-12-16(2)10-21(29-24)22-14-28-25(33-22)20-7-4-17-13-18(26(31)32-3)5-6-19(17)20/h5-6,8-14,20H,4,7H2,1-3H3,(H,27,29,30)
• InChIKey: WLCNHPSCUBRCQY-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate?

The IUPAC name of methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate (CID 123275801) is methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate.

What is the SMILES notation for methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate?

The canonical SMILES for methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CCC2c1ncc(-c2cc(C)cc(Nc3cc(C)ccn3)n2)s1.

What is the InChIKey of methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate?

The InChIKey is WLCNHPSCUBRCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-15-8-9-27-23(11-15)30-24-12-16(2)10-21(29-24)22-14-28-25(33-22)20-7-4-17-13-18(26(31)32-3)5-6-19(17)20/h5-6,8-14,20H,4,7H2,1-3H3,(H,27,29,30).

What are the key properties of methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate?

methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 456.57 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[5-[4-methyl-6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 123275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).