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

C37H39N5O3 — CID 59597223

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

N-[[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597223) has the molecular formula C37H39N5O3 and a molecular weight of 601.75 g/mol. Its IUPAC name is N-[[1-[(6-methoxy-2-pyridinyl)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-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59597223
• Molecular Formula: C37H39N5O3
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.31
• IUPAC Name: N-[[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: COc1cccc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)n1
• InChI: InChI=1S/C37H39N5O3/c1-26(2)34-19-18-30(21-38-34)42(23-28-20-39-41(22-28)24-29-12-7-17-36(40-29)44-3)37(43)33-15-8-14-32-31(33)13-9-16-35(32)45-25-27-10-5-4-6-11-27/h4-7,9-13,16-22,26,33H,8,14-15,23-25H2,1-3H3
• InChIKey: ZUYNDYHBBAQAPM-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 82.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methoxy-2-pyridinyl)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-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597223) is N-[[1-[(6-methoxy-2-pyridinyl)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-[(6-methoxy-2-pyridinyl)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-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)n1.

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

The InChIKey is ZUYNDYHBBAQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O3/c1-26(2)34-19-18-30(21-38-34)42(23-28-20-39-41(22-28)24-29-12-7-17-36(40-29)44-3)37(43)33-15-8-14-32-31(33)13-9-16-35(32)45-25-27-10-5-4-6-11-27/h4-7,9-13,16-22,26,33H,8,14-15,23-25H2,1-3H3.

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

N-[[1-[(6-methoxy-2-pyridinyl)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 601.75 g/mol, XLogP of 7.09, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(6-methoxy-2-pyridinyl)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 59597223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).