8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C30H32FN5O2 — CID 59191191

About 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59191191) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59191191
• Molecular Formula: C30H32FN5O2
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.25
• IUPAC Name: 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: Cc1ccnc(Cn2cc(CN(C(=O)C3CCCc4c(O)ccc(F)c43)c3ccc(C(C)C)nc3)cn2)c1
• InChI: InChI=1S/C30H32FN5O2/c1-19(2)27-9-7-23(15-33-27)36(17-21-14-34-35(16-21)18-22-13-20(3)11-12-32-22)30(38)25-6-4-5-24-28(37)10-8-26(31)29(24)25/h7-16,19,25,37H,4-6,17-18H2,1-3H3
• InChIKey: YOJOTTNKSVFNRB-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59191191) is 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1ccnc(Cn2cc(CN(C(=O)C3CCCc4c(O)ccc(F)c43)c3ccc(C(C)C)nc3)cn2)c1.

What is the InChIKey of 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is YOJOTTNKSVFNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c1-19(2)27-9-7-23(15-33-27)36(17-21-14-34-35(16-21)18-22-13-20(3)11-12-32-22)30(38)25-6-4-5-24-28(37)10-8-26(31)29(24)25/h7-16,19,25,37H,4-6,17-18H2,1-3H3.

What are the key properties of 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 513.62 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-5-hydroxy-N-[[1-[(4-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59191191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).