2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

C23H24F3N5O3 — CID 126558147

IUPAC2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2cnc3c(ccn3[C@H]3CCOC3)c2)c1
InChIInChI=1S/C23H24F3N5O3/c1-23(2,26)22(33)29-10-13-7-17(18(19(24)25)27-9-13)21(32)30-15-8-14-3-5-31(20(14)28-11-15)16-4-6-34-12-16/h3,5,7-9,11,16,19H,4,6,10,12H2,1-2H3,(H,29,33)(H,30,32)/t16-/m0/s1
InChIKeyBIVMYVPPZIELQE-INIZCTEOSA-N
MW475.47 g/mol
LogP3.95
Rot. Bonds7

About 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide

2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (PubChem CID 126558147) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
PubChem CID126558147
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
SMILESCC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2cnc3c(ccn3[C@H]3CCOC3)c2)c1
InChIInChI=1S/C23H24F3N5O3/c1-23(2,26)22(33)29-10-13-7-17(18(19(24)25)27-9-13)21(32)30-15-8-14-3-5-31(20(14)28-11-15)16-4-6-34-12-16/h3,5,7-9,11,16,19H,4,6,10,12H2,1-2H3,(H,29,33)(H,30,32)/t16-/m0/s1
InChIKeyBIVMYVPPZIELQE-INIZCTEOSA-N
XLogP3.95
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Ribociclib
CID 44631912
N-(2-(Dimethylamino)ethyl)-N-methyl-4-(((4-(4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo(2,3-d)pyrimidin-2-yl)phenyl)carbamoyl)amino)benzamide
CID 44599690
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone
CID 45139233
Bay-707
CID 129012086
N-[2-(Dimethylamino)ethyl]-4-({[4-(7-ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]carbamoyl}amino)benzamide
CID 44600010
N-[2-(Dimethylamino)ethyl]-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide
CID 44600649
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477
[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
CID 138105934
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
N-[(1S)-3-[(1R,5S)-3-(5-fluoro-2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 52945460
N-[(1S)-3-[(1R,5S)-3-(6-fluoro-2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-(3-fluorophenyl)propyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 52947897
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 77105903

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide (CID 126558147) is 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2cnc3c(ccn3[C@H]3CCOC3)c2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
The InChIKey is BIVMYVPPZIELQE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-23(2,26)22(33)29-10-13-7-17(18(19(24)25)27-9-13)21(32)30-15-8-14-3-5-31(20(14)28-11-15)16-4-6-34-12-16/h3,5,7-9,11,16,19H,4,6,10,12H2,1-2H3,(H,29,33)(H,30,32)/t16-/m0/s1.
What are the key properties of 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide?
2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[1-[(3S)-oxolan-3-yl]pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 126558147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).