3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane

C82H97F9N18O6 — CID 165003346

IUPAC3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane
SMILESC.Cc1cc(F)c(NC(=O)N2CCC(C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1
InChIInChI=1S/3C27H31F3N6O2.CH4/c3*1-17-10-22(28)24(33-26(37)36-5-4-20(16-36)27(2,29)30)13-21(17)18-11-23(19-14-31-34(3)15-19)32-25(12-18)35-6-8-38-9-7-35;/h3*10-15,20H,4-9,16H2,1-3H3,(H,33,37);1H4/t2*20-;;/m10../s1
InChIKeyIOXHETLBPWGKQZ-FCXQHQNUSA-N
MW1601.78 g/mol
LogP15.46
Rot. Bonds15

About 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane

3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane (PubChem CID 165003346) has the molecular formula C82H97F9N18O6 and a molecular weight of 1601.78 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane
PubChem CID165003346
Molecular FormulaC82H97F9N18O6
Molecular Weight1601.78 g/mol
Exact Mass1600.77
IUPAC Name3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane
SMILESC.Cc1cc(F)c(NC(=O)N2CCC(C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1
InChIInChI=1S/3C27H31F3N6O2.CH4/c3*1-17-10-22(28)24(33-26(37)36-5-4-20(16-36)27(2,29)30)13-21(17)18-11-23(19-14-31-34(3)15-19)32-25(12-18)35-6-8-38-9-7-35;/h3*10-15,20H,4-9,16H2,1-3H3,(H,33,37);1H4/t2*20-;;/m10../s1
InChIKeyIOXHETLBPWGKQZ-FCXQHQNUSA-N
XLogP15.46
TPSA226.56 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.78
LogP ≤ 515.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane 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

US11407737, Example 75
CID 162764684
US11407737, Example 78
CID 162764690
US11407737, Example 66
CID 162764709
US11407737, Example 84
CID 162764753
US11407737, Example 48
CID 162764764
US11407737, Example 74
CID 162764804
US11407737, Example 36
CID 162764805
US11407737, Example 76
CID 162764806
US11407737, Example 68
CID 162764876
US11407737, Example 77
CID 162764887
US11407737, Example 67
CID 162764921
US11407737, Example 49
CID 162764950

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane?
The IUPAC name of 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane (CID 165003346) is 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane is C.Cc1cc(F)c(NC(=O)N2CCC(C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CC[C@H](C(C)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane?
The InChIKey is IOXHETLBPWGKQZ-FCXQHQNUSA-N. The full InChI is InChI=1S/3C27H31F3N6O2.CH4/c3*1-17-10-22(28)24(33-26(37)36-5-4-20(16-36)27(2,29)30)13-21(17)18-11-23(19-14-31-34(3)15-19)32-25(12-18)35-6-8-38-9-7-35;/h3*10-15,20H,4-9,16H2,1-3H3,(H,33,37);1H4/t2*20-;;/m10../s1.
What are the key properties of 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane?
3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane has a molecular weight of 1601.78 g/mol, XLogP of 15.46, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3S)-3-(1,1-difluoroethyl)-N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;methane is sourced from PubChem (CID 165003346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).