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

C29H30FN5O2 — CID 16678780

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

8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 16678780) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 16678780
• Molecular Formula: C29H30FN5O2
• Molecular Weight: 499.59 g/mol
• Exact Mass: 499.24
• IUPAC Name: 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)c1ccc(N(Cc2cnn(Cc3ccccn3)c2)C(=O)C2CCCc3c(O)ccc(F)c32)cn1
• InChI: InChI=1S/C29H30FN5O2/c1-19(2)26-11-9-22(15-32-26)35(17-20-14-33-34(16-20)18-21-6-3-4-13-31-21)29(37)24-8-5-7-23-27(36)12-10-25(30)28(23)24/h3-4,6,9-16,19,24,36H,5,7-8,17-18H2,1-2H3
• InChIKey: ISNPVZBTJJRDDN-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.59
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 16678780) is 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

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

The canonical SMILES for 8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3ccccn3)c2)C(=O)C2CCCc3c(O)ccc(F)c32)cn1.

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

The InChIKey is ISNPVZBTJJRDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-19(2)26-11-9-22(15-32-26)35(17-20-14-33-34(16-20)18-21-6-3-4-13-31-21)29(37)24-8-5-7-23-27(36)12-10-25(30)28(23)24/h3-4,6,9-16,19,24,36H,5,7-8,17-18H2,1-2H3.

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

8-fluoro-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 5.34, 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-(6-propan-2-yl-3-pyridinyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 16678780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).