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

C38H41N5O4 — CID 59597363

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

N-[[1-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597363) has the molecular formula C38H41N5O4 and a molecular weight of 631.78 g/mol. Its IUPAC name is N-[[1-[(2,6-dimethoxy-3-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-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59597363
• Molecular Formula: C38H41N5O4
• Molecular Weight: 631.78 g/mol
• Exact Mass: 631.32
• IUPAC Name: N-[[1-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: COc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)c(OC)n1
• InChI: InChI=1S/C38H41N5O4/c1-26(2)34-18-17-30(21-39-34)43(23-28-20-40-42(22-28)24-29-16-19-36(45-3)41-37(29)46-4)38(44)33-14-8-13-32-31(33)12-9-15-35(32)47-25-27-10-6-5-7-11-27/h5-7,9-12,15-22,26,33H,8,13-14,23-25H2,1-4H3
• InChIKey: MXJCGBAXGGCCQZ-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 91.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.78
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dimethoxy-3-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-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597363) is N-[[1-[(2,6-dimethoxy-3-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-[(2,6-dimethoxy-3-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-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(OCc5ccccc5)cccc43)c3ccc(C(C)C)nc3)cn2)c(OC)n1.

What is the InChIKey of N-[[1-[(2,6-dimethoxy-3-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 MXJCGBAXGGCCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N5O4/c1-26(2)34-18-17-30(21-39-34)43(23-28-20-40-42(22-28)24-29-16-19-36(45-3)41-37(29)46-4)38(44)33-14-8-13-32-31(33)12-9-15-35(32)47-25-27-10-6-5-7-11-27/h5-7,9-12,15-22,26,33H,8,13-14,23-25H2,1-4H3.

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

N-[[1-[(2,6-dimethoxy-3-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 631.78 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2,6-dimethoxy-3-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 59597363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).