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

C43H43N5O3 — CID 59597215

IUPAC5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cnn(Cc3ccc(OCc4ccccc4)cn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
InChIInChI=1S/C43H43N5O3/c1-31(2)41-22-20-36(24-45-41)48(43(49)40-17-9-16-39-38(40)15-10-18-42(39)51-30-33-13-7-4-8-14-33)27-34-23-46-47(26-34)28-35-19-21-37(25-44-35)50-29-32-11-5-3-6-12-32/h3-8,10-15,18-26,31,40H,9,16-17,27-30H2,1-2H3
InChIKeySWZDMVVMWLLHOG-UHFFFAOYSA-N
MW677.85 g/mol
LogP8.66
Rot. Bonds13

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

5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597215) has the molecular formula C43H43N5O3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597215
Molecular FormulaC43H43N5O3
Molecular Weight677.85 g/mol
Exact Mass677.34
IUPAC Name5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cnn(Cc3ccc(OCc4ccccc4)cn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
InChIInChI=1S/C43H43N5O3/c1-31(2)41-22-20-36(24-45-41)48(43(49)40-17-9-16-39-38(40)15-10-18-42(39)51-30-33-13-7-4-8-14-33)27-34-23-46-47(26-34)28-35-19-21-37(25-44-35)50-29-32-11-5-3-6-12-32/h3-8,10-15,18-26,31,40H,9,16-17,27-30H2,1-2H3
InChIKeySWZDMVVMWLLHOG-UHFFFAOYSA-N
XLogP8.66
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-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 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597215) is 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-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 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-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 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3ccc(OCc4ccccc4)cn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1.
What is the InChIKey of 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is SWZDMVVMWLLHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43N5O3/c1-31(2)41-22-20-36(24-45-41)48(43(49)40-17-9-16-39-38(40)15-10-18-42(39)51-30-33-13-7-4-8-14-33)27-34-23-46-47(26-34)28-35-19-21-37(25-44-35)50-29-32-11-5-3-6-12-32/h3-8,10-15,18-26,31,40H,9,16-17,27-30H2,1-2H3.
What are the key properties of 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-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 677.85 g/mol, XLogP of 8.66, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-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 59597215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).