N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide

C24H22F2N4O2 — CID 158328299

IUPACN-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCOC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(C)c(C(C)(F)F)c4)cc3)cc21
InChIInChI=1S/C24H22F2N4O2/c1-14-20(24(2,25)26)10-18(12-27-14)30-22(31)8-15-4-6-16(7-5-15)17-9-19-21(28-11-17)13-29-23(19)32-3/h4-7,9-12H,8,13H2,1-3H3,(H,30,31)
InChIKeyGPRMMHCSCRXMJK-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.65
Rot. Bonds5

About N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide

N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide (PubChem CID 158328299) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide
PubChem CID158328299
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC NameN-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide
SMILESCOC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(C)c(C(C)(F)F)c4)cc3)cc21
InChIInChI=1S/C24H22F2N4O2/c1-14-20(24(2,25)26)10-18(12-27-14)30-22(31)8-15-4-6-16(7-5-15)17-9-19-21(28-11-17)13-29-23(19)32-3/h4-7,9-12H,8,13H2,1-3H3,(H,30,31)
InChIKeyGPRMMHCSCRXMJK-UHFFFAOYSA-N
XLogP4.65
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide 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

2,2,2-trifluoro-N-[3-[4-[2-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]phenyl]-7H-pyrrolo[3,4-b]pyridin-5-yl]acetamide
CID 160603332
N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]-2-[4-[6-(3-methoxyprop-1-ynyl)-7H-cyclopenta[b]pyridin-3-yl]phenyl]acetamide
CID 158149472
2-[4-[2-[(1-cyclopropylpyrrol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]acetamide
CID 145371358
5-[4-[2-[[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]amino]prop-2-enyl]phenyl]-3-(1-ethoxyethenyl)-N-methylpyridin-2-amine
CID 166877080
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
2-[4-[2-(3,3-dimethylbut-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423410
N-[4-(1,1-difluoroethyl)-3-fluorophenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158628068
2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166877140
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
2-[2,5-difluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 147498797
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide (CID 158328299) is N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide is COC1=NCc2ncc(-c3ccc(CC(=O)Nc4cnc(C)c(C(C)(F)F)c4)cc3)cc21.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
The InChIKey is GPRMMHCSCRXMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-14-20(24(2,25)26)10-18(12-27-14)30-22(31)8-15-4-6-16(7-5-15)17-9-19-21(28-11-17)13-29-23(19)32-3/h4-7,9-12H,8,13H2,1-3H3,(H,30,31).
What are the key properties of N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide?
N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide has a molecular weight of 436.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]-2-[4-(5-methoxy-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 158328299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).