4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane

C32H32F8N4O3 — CID 169265034

IUPAC4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane
SMILESCOC.Nc1ccc(C(=O)NCC(c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc1/C=N/C1CC1
InChIInChI=1S/C30H26F8N4O2.C2H6O/c31-19-6-3-16(4-7-19)26-25(32)22(28(44,29(33,34)35)30(36,37)38)12-24(42-26)21(15-1-2-15)14-41-27(43)17-5-10-23(39)18(11-17)13-40-20-8-9-20;1-3-2/h3-7,10-13,15,20-21,44H,1-2,8-9,14,39H2,(H,41,43);1-2H3/b40-13+;
InChIKeyCESFWAHHXQTBSC-USOQUKNKSA-N
MW672.62 g/mol
LogP6.69
Rot. Bonds9

About 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane

4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane (PubChem CID 169265034) has the molecular formula C32H32F8N4O3 and a molecular weight of 672.62 g/mol. Its IUPAC name is 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane.

Molecular Properties

Compound Name4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane
PubChem CID169265034
Molecular FormulaC32H32F8N4O3
Molecular Weight672.62 g/mol
Exact Mass672.23
IUPAC Name4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane
SMILESCOC.Nc1ccc(C(=O)NCC(c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc1/C=N/C1CC1
InChIInChI=1S/C30H26F8N4O2.C2H6O/c31-19-6-3-16(4-7-19)26-25(32)22(28(44,29(33,34)35)30(36,37)38)12-24(42-26)21(15-1-2-15)14-41-27(43)17-5-10-23(39)18(11-17)13-40-20-8-9-20;1-3-2/h3-7,10-13,15,20-21,44H,1-2,8-9,14,39H2,(H,41,43);1-2H3/b40-13+;
InChIKeyCESFWAHHXQTBSC-USOQUKNKSA-N
XLogP6.69
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.62
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane with MolForge

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Related Compounds

2-[6-(1-cyclopropyl-2-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]-2-methylpropanamide
CID 169264915
N-[2-[5-chloro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-cyclopropylethyl]-2-fluoro-8-methoxy-3-methylquinoline-6-carboxamide
CID 166807792
N-[2-cyclopropyl-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]ethyl]-8-cyclopropyloxy-3-methylquinoline-6-carboxamide
CID 166807575
4-amino-N-[2-[5-chloro-6-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-3-(cyclopropyliminomethyl)-5-methoxybenzamide
CID 169265007
2-amino-N-[(2R)-2-cyclopropyl-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]-4-(trifluoromethoxy)-1,3-benzoxazole-6-carboxamide
CID 166672038
(3R)-5-[3-[[4-amino-3-(cyclopropyliminomethyl)-5-methoxybenzoyl]amino]-1,1,1-trifluoropropan-2-yl]-7-(3-cyclopropylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241013
4-amino-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzamide;formaldehyde;methanamine
CID 169241223
6-[2-[[4-amino-3-(cyclopropyliminomethyl)-5-methoxybenzoyl]amino]-1-phenylethyl]-2-(5-chloro-2,4-difluorophenyl)-3-fluoro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 169265015
N-[2-cyclopropyl-2-[6-(4-fluorophenyl)-4-(1-methoxypropan-2-yl)-5-methyl-2-pyridinyl]ethyl]formamide
CID 169241090
2-cyclopropyl-N-[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]pentyl]-7-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
CID 169264708
2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol
CID 156896004
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane?
The IUPAC name of 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane (CID 169265034) is 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane.
What is the SMILES notation for 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane?
The canonical SMILES for 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane is COC.Nc1ccc(C(=O)NCC(c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc1/C=N/C1CC1.
What is the InChIKey of 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane?
The InChIKey is CESFWAHHXQTBSC-USOQUKNKSA-N. The full InChI is InChI=1S/C30H26F8N4O2.C2H6O/c31-19-6-3-16(4-7-19)26-25(32)22(28(44,29(33,34)35)30(36,37)38)12-24(42-26)21(15-1-2-15)14-41-27(43)17-5-10-23(39)18(11-17)13-40-20-8-9-20;1-3-2/h3-7,10-13,15,20-21,44H,1-2,8-9,14,39H2,(H,41,43);1-2H3/b40-13+;.
What are the key properties of 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane?
4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane has a molecular weight of 672.62 g/mol, XLogP of 6.69, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-3-(cyclopropyliminomethyl)benzamide;methoxymethane is sourced from PubChem (CID 169265034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).