N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C41H47F5N8O6 — CID 157292352

IUPACN-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NC4CCCC(F)(F)C4)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCCC(F)(F)F)c3c2)CC1
InChIInChI=1S/C22H26F2N4O3.C19H21F3N4O3/c1-2-19(29)28-8-5-15(6-9-28)31-16-10-17-18(13-26-20(17)25-12-16)21(30)27-14-4-3-7-22(23,24)11-14;1-2-16(27)26-7-3-12(4-8-26)29-13-9-14-15(11-25-17(14)24-10-13)18(28)23-6-5-19(20,21)22/h2,10,12-15H,1,3-9,11H2,(H,25,26)(H,27,30);2,9-12H,1,3-8H2,(H,23,28)(H,24,25)
InChIKeyBAYJWBOXBQSFHT-UHFFFAOYSA-N
MW842.87 g/mol
LogP6.23
Rot. Bonds11

About N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 157292352) has the molecular formula C41H47F5N8O6 and a molecular weight of 842.87 g/mol. Its IUPAC name is N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID157292352
Molecular FormulaC41H47F5N8O6
Molecular Weight842.87 g/mol
Exact Mass842.35
IUPAC NameN-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NC4CCCC(F)(F)C4)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCCC(F)(F)F)c3c2)CC1
InChIInChI=1S/C22H26F2N4O3.C19H21F3N4O3/c1-2-19(29)28-8-5-15(6-9-28)31-16-10-17-18(13-26-20(17)25-12-16)21(30)27-14-4-3-7-22(23,24)11-14;1-2-16(27)26-7-3-12(4-8-26)29-13-9-14-15(11-25-17(14)24-10-13)18(28)23-6-5-19(20,21)22/h2,10,12-15H,1,3-9,11H2,(H,25,26)(H,27,30);2,9-12H,1,3-8H2,(H,23,28)(H,24,25)
InChIKeyBAYJWBOXBQSFHT-UHFFFAOYSA-N
XLogP6.23
TPSA174.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.87
LogP ≤ 56.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide 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

1-[4-[[[5-(4-phenoxypiperidine-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 168279812
4-Morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-pyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 50992288
N-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 132349870
3-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-N-[1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 57383021
3-acetamido-N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 58087110
N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]morpholine-4-carboxamide
CID 58087592
morpholin-4-yl-[5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridin-3-yl]methanone
CID 59699857
2,4-difluoro-3-[5-(2-morpholin-4-ylethoxy)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 68755087
4-[[4-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72949750
4-[[4-[(2R)-2,5-dimethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72949751
4-[[4-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72949752
3-{[2-(3,3-difluoro-1-pyrrolidinyl)ethyl]oxy}-N-[1-(5-methyl-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]benzamide hydrochloride
CID 86710214

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 157292352) is N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NC4CCCC(F)(F)C4)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCCC(F)(F)F)c3c2)CC1.
What is the InChIKey of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is BAYJWBOXBQSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O3.C19H21F3N4O3/c1-2-19(29)28-8-5-15(6-9-28)31-16-10-17-18(13-26-20(17)25-12-16)21(30)27-14-4-3-7-22(23,24)11-14;1-2-16(27)26-7-3-12(4-8-26)29-13-9-14-15(11-25-17(14)24-10-13)18(28)23-6-5-19(20,21)22/h2,10,12-15H,1,3-9,11H2,(H,25,26)(H,27,30);2,9-12H,1,3-8H2,(H,23,28)(H,24,25).
What are the key properties of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 842.87 g/mol, XLogP of 6.23, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 157292352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).