5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane

C24H25ClF2N4O3 — CID 162379544

IUPAC5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
SMILESCC.O=C(NC(Cc1cccc(F)c1F)C(=O)N1CC2(COC2)C1)c1cc2cc(Cl)cnc2[nH]1
InChIInChI=1S/C22H19ClF2N4O3.C2H6/c23-14-4-13-6-16(27-19(13)26-7-14)20(30)28-17(5-12-2-1-3-15(24)18(12)25)21(31)29-8-22(9-29)10-32-11-22;1-2/h1-4,6-7,17H,5,8-11H2,(H,26,27)(H,28,30);1-2H3
InChIKeyYJBKKLIBXXSZHX-UHFFFAOYSA-N
MW490.94 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane

5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane (PubChem CID 162379544) has the molecular formula C24H25ClF2N4O3 and a molecular weight of 490.94 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
PubChem CID162379544
Molecular FormulaC24H25ClF2N4O3
Molecular Weight490.94 g/mol
Exact Mass490.16
IUPAC Name5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane
SMILESCC.O=C(NC(Cc1cccc(F)c1F)C(=O)N1CC2(COC2)C1)c1cc2cc(Cl)cnc2[nH]1
InChIInChI=1S/C22H19ClF2N4O3.C2H6/c23-14-4-13-6-16(27-19(13)26-7-14)20(30)28-17(5-12-2-1-3-15(24)18(12)25)21(31)29-8-22(9-29)10-32-11-22;1-2/h1-4,6-7,17H,5,8-11H2,(H,26,27)(H,28,30);1-2H3
InChIKeyYJBKKLIBXXSZHX-UHFFFAOYSA-N
XLogP3.72
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.94
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane with MolForge

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Related Compounds

5-chloro-N-[(2S)-3-(2,4-difluorophenyl)-1-(3-methoxy-3-methylazetidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379554
5-chloro-N-[(2S)-3-(2,4-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 168922733
5-chloro-N-[(2S)-3-(2,4-difluorophenyl)-1-(1,4-oxazepan-4-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379582
5-chloro-N-[(2S)-3-(2,4-difluorophenyl)-1-(3-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379481
5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 162379467
5-chloro-N-[3-(5-chloro-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 168922734
5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118425281
tert-butyl N-[(2S)-3-(3-chloro-4-pyridinyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]carbamate
CID 168922720
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;molecular hydrogen
CID 158230154
[1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidin-4-yl] acetate
CID 59753732
ethyl 1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 59753750
sodium 1-[(2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylate
CID 70097424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The IUPAC name of 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane (CID 162379544) is 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane.
What is the SMILES notation for 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The canonical SMILES for 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane is CC.O=C(NC(Cc1cccc(F)c1F)C(=O)N1CC2(COC2)C1)c1cc2cc(Cl)cnc2[nH]1.
What is the InChIKey of 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
The InChIKey is YJBKKLIBXXSZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O3.C2H6/c23-14-4-13-6-16(27-19(13)26-7-14)20(30)28-17(5-12-2-1-3-15(24)18(12)25)21(31)29-8-22(9-29)10-32-11-22;1-2/h1-4,6-7,17H,5,8-11H2,(H,26,27)(H,28,30);1-2H3.
What are the key properties of 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane?
5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane has a molecular weight of 490.94 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,3-difluorophenyl)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 162379544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).