N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C22H26FN5O2 — CID 72949550

IUPACN-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC[C@@H]1COC[C@@H](CCNC(=O)c2cn(-c3cccnc3)c3ncc(F)cc23)N1C
InChIInChI=1S/C22H26FN5O2/c1-3-16-13-30-14-18(27(16)2)6-8-25-22(29)20-12-28(17-5-4-7-24-11-17)21-19(20)9-15(23)10-26-21/h4-5,7,9-12,16,18H,3,6,8,13-14H2,1-2H3,(H,25,29)/t16-,18-/m1/s1
InChIKeyAYIHHKAREFWZDU-SJLPKXTDSA-N
MW411.48 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide

N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 72949550) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID72949550
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC[C@@H]1COC[C@@H](CCNC(=O)c2cn(-c3cccnc3)c3ncc(F)cc23)N1C
InChIInChI=1S/C22H26FN5O2/c1-3-16-13-30-14-18(27(16)2)6-8-25-22(29)20-12-28(17-5-4-7-24-11-17)21-19(20)9-15(23)10-26-21/h4-5,7,9-12,16,18H,3,6,8,13-14H2,1-2H3,(H,25,29)/t16-,18-/m1/s1
InChIKeyAYIHHKAREFWZDU-SJLPKXTDSA-N
XLogP2.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 72949550) is N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide is CC[C@@H]1COC[C@@H](CCNC(=O)c2cn(-c3cccnc3)c3ncc(F)cc23)N1C.
What is the InChIKey of N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AYIHHKAREFWZDU-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-3-16-13-30-14-18(27(16)2)6-8-25-22(29)20-12-28(17-5-4-7-24-11-17)21-19(20)9-15(23)10-26-21/h4-5,7,9-12,16,18H,3,6,8,13-14H2,1-2H3,(H,25,29)/t16-,18-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-5-ethyl-4-methylmorpholin-3-yl]ethyl]-5-fluoro-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 72949550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).