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

C37H36F3N5O2 — CID 59597437

IUPAC5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cnn(Cc3cc(C(F)(F)F)ccn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
InChIInChI=1S/C37H36F3N5O2/c1-25(2)34-15-14-30(20-42-34)45(22-27-19-43-44(21-27)23-29-18-28(16-17-41-29)37(38,39)40)36(46)33-12-6-11-32-31(33)10-7-13-35(32)47-24-26-8-4-3-5-9-26/h3-5,7-10,13-21,25,33H,6,11-12,22-24H2,1-2H3
InChIKeyASXQIUCACXDJMX-UHFFFAOYSA-N
MW639.72 g/mol
LogP8.10
Rot. Bonds10

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

5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597437) has the molecular formula C37H36F3N5O2 and a molecular weight of 639.72 g/mol. Its IUPAC name is 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID59597437
Molecular FormulaC37H36F3N5O2
Molecular Weight639.72 g/mol
Exact Mass639.28
IUPAC Name5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(Cc2cnn(Cc3cc(C(F)(F)F)ccn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1
InChIInChI=1S/C37H36F3N5O2/c1-25(2)34-15-14-30(20-42-34)45(22-27-19-43-44(21-27)23-29-18-28(16-17-41-29)37(38,39)40)36(46)33-12-6-11-32-31(33)10-7-13-35(32)47-24-26-8-4-3-5-9-26/h3-5,7-10,13-21,25,33H,6,11-12,22-24H2,1-2H3
InChIKeyASXQIUCACXDJMX-UHFFFAOYSA-N
XLogP8.10
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.72
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16678569
CID 16678569
CID 16678571
CID 16678571
CID 16678780
CID 16678780
CID 16678781
CID 16678781
CID 17854160
CID 17854160
CID 17854163
CID 17854163
CID 17854309
CID 17854309
CID 17854343
CID 17854343
CID 17854363
CID 17854363
CID 17854494
CID 17854494
CID 59191186
CID 59191186
CID 59191191
CID 59191191

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597437) is 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3cc(C(F)(F)F)ccn3)c2)C(=O)C2CCCc3c(OCc4ccccc4)cccc32)cn1.
What is the InChIKey of 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ASXQIUCACXDJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F3N5O2/c1-25(2)34-15-14-30(20-42-34)45(22-27-19-43-44(21-27)23-29-18-28(16-17-41-29)37(38,39)40)36(46)33-12-6-11-32-31(33)10-7-13-35(32)47-24-26-8-4-3-5-9-26/h3-5,7-10,13-21,25,33H,6,11-12,22-24H2,1-2H3.
What are the key properties of 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 639.72 g/mol, XLogP of 8.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-N-[[1-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).