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

C37H37FN4O2 — CID 59597246

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

N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597246) has the molecular formula C37H37FN4O2 and a molecular weight of 588.73 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59597246
• Molecular Formula: C37H37FN4O2
• Molecular Weight: 588.73 g/mol
• Exact Mass: 588.29
• IUPAC Name: N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)c1ccc(N(Cc2cnn(Cc3ccc(F)cc3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
• InChI: InChI=1S/C37H37FN4O2/c1-26(2)35-19-18-31(21-39-35)42(24-29-20-40-41(23-29)22-27-14-16-30(38)17-15-27)37(43)34-12-6-11-33-32(34)10-7-13-36(33)44-25-28-8-4-3-5-9-28/h3-5,7-10,13-21,23,26,34H,6,11-12,22,24-25H2,1-2H3
• InChIKey: QZEQSADWGFNQIL-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.73
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597246) is N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

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

The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3ccc(F)cc3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1.

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

The InChIKey is QZEQSADWGFNQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37FN4O2/c1-26(2)35-19-18-31(21-39-35)42(24-29-20-40-41(23-29)22-27-14-16-30(38)17-15-27)37(43)34-12-6-11-33-32(34)10-7-13-36(33)44-25-28-8-4-3-5-9-28/h3-5,7-10,13-21,23,26,34H,6,11-12,22,24-25H2,1-2H3.

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

N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 588.73 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).