4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide

C26H24F4N2O3 — CID 123769132

IUPAC4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide
SMILESCOc1cc(C(=O)NCC(c2cc(C)cc(-c3ccc(F)cc3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C26H24F4N2O3/c1-15-11-21(16-3-6-18(27)7-4-16)32-22(12-15)20(26(28,29)30)14-31-25(33)17-5-10-23(24(13-17)34-2)35-19-8-9-19/h3-7,10-13,19-20H,8-9,14H2,1-2H3,(H,31,33)
InChIKeyLBJMFDXPEKSYKL-UHFFFAOYSA-N
MW488.48 g/mol
LogP5.82
Rot. Bonds8

About 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide

4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide (PubChem CID 123769132) has the molecular formula C26H24F4N2O3 and a molecular weight of 488.48 g/mol. Its IUPAC name is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide.

Molecular Properties

Compound Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide
PubChem CID123769132
Molecular FormulaC26H24F4N2O3
Molecular Weight488.48 g/mol
Exact Mass488.17
IUPAC Name4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide
SMILESCOc1cc(C(=O)NCC(c2cc(C)cc(-c3ccc(F)cc3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C26H24F4N2O3/c1-15-11-21(16-3-6-18(27)7-4-16)32-22(12-15)20(26(28,29)30)14-31-25(33)17-5-10-23(24(13-17)34-2)35-19-8-9-19/h3-7,10-13,19-20H,8-9,14H2,1-2H3,(H,31,33)
InChIKeyLBJMFDXPEKSYKL-UHFFFAOYSA-N
XLogP5.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.48
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide 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

tert-butyl N-[2-[2-[3-[[4-cyclopropyloxy-3-(2-hydroxyethoxy)benzoyl]amino]-1,1,1-trifluoropropan-2-yl]-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate
CID 139332068
N-[2-[6-(3-chloro-4-fluorophenyl)-4-(6-hydroxy-2-methylhexan-2-yl)-2-pyridinyl]-3,3,3-trifluoropropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 123848505
methyl 2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoropropan-2-yl]-4-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 139444328
tert-butyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[1-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]propan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 144796021
N-[2-[4-(aminomethyl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoropropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 144795788
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoropropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 139444089
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156872961
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carboxamide
CID 156873029
4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one
CID 160928675
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[3-[6-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridinyl]-4,4,4-trifluoro-3-hydroxybutyl]-4-(3-fluorocyclobutyl)oxy-3-methoxybenzamide
CID 123715758
4-cyclopropyloxy-N-[2-[3-(difluoromethyl)-7-(4-fluorophenyl)-3-formyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-3-methoxybenzamide;methanamine
CID 164911508

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide?
The IUPAC name of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide (CID 123769132) is 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide.
What is the SMILES notation for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide?
The canonical SMILES for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide is COc1cc(C(=O)NCC(c2cc(C)cc(-c3ccc(F)cc3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide?
The InChIKey is LBJMFDXPEKSYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N2O3/c1-15-11-21(16-3-6-18(27)7-4-16)32-22(12-15)20(26(28,29)30)14-31-25(33)17-5-10-23(24(13-17)34-2)35-19-8-9-19/h3-7,10-13,19-20H,8-9,14H2,1-2H3,(H,31,33).
What are the key properties of 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide?
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide has a molecular weight of 488.48 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide is sourced from PubChem (CID 123769132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).