7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide

C21H13ClN4O3 — CID 121473662

IUPAC7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESN#Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2n1
InChIInChI=1S/C21H13ClN4O3/c22-13-2-1-11-7-19(16(20(24)28)6-12(11)5-13)29-10-18(27)17-9-25-21-15(17)4-3-14(8-23)26-21/h1-7,9H,10H2,(H2,24,28)(H,25,26)
InChIKeyJWSHSUNWTDZFAS-UHFFFAOYSA-N
MW404.81 g/mol
LogP3.60
Rot. Bonds5

About 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473662) has the molecular formula C21H13ClN4O3 and a molecular weight of 404.81 g/mol. Its IUPAC name is 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473662
Molecular FormulaC21H13ClN4O3
Molecular Weight404.81 g/mol
Exact Mass404.07
IUPAC Name7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESN#Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2n1
InChIInChI=1S/C21H13ClN4O3/c22-13-2-1-11-7-19(16(20(24)28)6-12(11)5-13)29-10-18(27)17-9-25-21-15(17)4-3-14(8-23)26-21/h1-7,9H,10H2,(H2,24,28)(H,25,26)
InChIKeyJWSHSUNWTDZFAS-UHFFFAOYSA-N
XLogP3.60
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[2-(6-chloro-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473674
7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473532
7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 145117902
7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 121473348
2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
CID 145117875
7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475015
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473456
7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473606
7-chloro-3-[2-[6-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473420
3-[2-[4-[(3S)-1-[2-[3-[2-(3-carbamoyl-6-chloronaphthalen-2-yl)oxyacetyl]-6-pyridazin-3-yloxyindol-1-yl]ethyl]pyrrolidin-3-yl]oxy-1-[2-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-6-pyridazin-3-yloxyindol-3-yl]-2-oxoethoxy]-7-cyanonaphthalene-2-carboxamide
CID 145117894

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473662) is 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is N#Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2n1.
What is the InChIKey of 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is JWSHSUNWTDZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4O3/c22-13-2-1-11-7-19(16(20(24)28)6-12(11)5-13)29-10-18(27)17-9-25-21-15(17)4-3-14(8-23)26-21/h1-7,9H,10H2,(H2,24,28)(H,25,26).
What are the key properties of 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 404.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).