N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C24H20F2N4O4 — CID 21081474

IUPACN-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(CCO)c23)c(F)c1
InChIInChI=1S/C24H20F2N4O4/c25-16-3-1-14(2-4-16)11-21(32)30-24(33)29-17-5-6-19(18(26)12-17)34-20-7-9-27-23-22(20)15(8-10-31)13-28-23/h1-7,9,12-13,31H,8,10-11H2,(H,27,28)(H2,29,30,32,33)
InChIKeyBLFYQKYEPRTHMF-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.06
Rot. Bonds7

About N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 21081474) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID21081474
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC NameN-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(CCO)c23)c(F)c1
InChIInChI=1S/C24H20F2N4O4/c25-16-3-1-14(2-4-16)11-21(32)30-24(33)29-17-5-6-19(18(26)12-17)34-20-7-9-27-23-22(20)15(8-10-31)13-28-23/h1-7,9,12-13,31H,8,10-11H2,(H,27,28)(H2,29,30,32,33)
InChIKeyBLFYQKYEPRTHMF-UHFFFAOYSA-N
XLogP4.06
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[[3-fluoro-4-[(3-pyridin-2-yl-4-pyridinyl)oxy]phenyl]carbamoyl]acetamide
CID 70791054
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
CID 25195743
tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
CID 59852914
2-[4-[4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanol
CID 11568564
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
2-(4-fluorophenyl)-N-[[3-fluoro-4-[[3-[3-[(2-pyrrolidin-1-ylacetyl)amino]prop-1-ynyl]-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide;dihydrochloride
CID 25197195
1-(4-fluorophenyl)-N-[3-fluoro-4-[[3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2-oxopyrrolidine-3-carboxamide
CID 21081742
2-amino-N-cyclohexyl-3-[3-fluoro-4-[[3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]propanamide
CID 135260941
N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58249343
N-[[3-fluoro-4-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 87765837
N-[3-fluoro-4-[[2-(2-iminoethyl)-3-pyridinyl]oxy]phenyl]-2-(4-fluorophenyl)acetamide
CID 123915427
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 21081474) is N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(CCO)c23)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is BLFYQKYEPRTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c25-16-3-1-14(2-4-16)11-21(32)30-24(33)29-17-5-6-19(18(26)12-17)34-20-7-9-27-23-22(20)15(8-10-31)13-28-23/h1-7,9,12-13,31H,8,10-11H2,(H,27,28)(H2,29,30,32,33).
What are the key properties of N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 466.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 21081474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).