5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide

C27H22F3N9O2S — CID 71464868

About 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide

5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 71464868) has the molecular formula C27H22F3N9O2S and a molecular weight of 593.60 g/mol. Its IUPAC name is 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide
• PubChem CID: 71464868
• Molecular Formula: C27H22F3N9O2S
• Molecular Weight: 593.60 g/mol
• Exact Mass: 593.16
• IUPAC Name: 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)Nc5nn[nH]n5)ccc43)s2)c1
• InChI: InChI=1S/C27H22F3N9O2S/c1-14-9-19(33-22(10-14)34-21-12-17(6-8-31-21)27(28,29)30)20-13-32-24(42-20)26(41)7-2-3-15-11-16(4-5-18(15)26)23(40)35-25-36-38-39-37-25/h4-6,8-13,41H,2-3,7H2,1H3,(H,31,33,34)(H2,35,36,37,38,39,40)
• InChIKey: RKOFKUJSIQNSMM-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 154.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.60
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The IUPAC name of 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 71464868) is 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide.

What is the SMILES notation for 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The canonical SMILES for 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)Nc5nn[nH]n5)ccc43)s2)c1.

What is the InChIKey of 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

The InChIKey is RKOFKUJSIQNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N9O2S/c1-14-9-19(33-22(10-14)34-21-12-17(6-8-31-21)27(28,29)30)20-13-32-24(42-20)26(41)7-2-3-15-11-16(4-5-18(15)26)23(40)35-25-36-38-39-37-25/h4-6,8-13,41H,2-3,7H2,1H3,(H,31,33,34)(H2,35,36,37,38,39,40).

What are the key properties of 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide?

5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 593.60 g/mol, XLogP of 5.01, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-N-(2H-tetrazol-5-yl)-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 71464868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).