4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

C18H11Cl2N5O2 — CID 143384981

IUPAC4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]cc(C(=O)c4cc(Cl)nn4Cl)c23)cc1
InChIInChI=1S/C18H11Cl2N5O2/c19-14-7-13(25(20)24-14)16(26)12-8-23-18-15(12)11(5-6-22-18)9-1-3-10(4-2-9)17(21)27/h1-8H,(H2,21,27)(H,22,23)
InChIKeyFIQWEIIXPMFDLY-UHFFFAOYSA-N
MW400.23 g/mol
LogP3.41
Rot. Bonds4

About 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 143384981) has the molecular formula C18H11Cl2N5O2 and a molecular weight of 400.23 g/mol. Its IUPAC name is 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID143384981
Molecular FormulaC18H11Cl2N5O2
Molecular Weight400.23 g/mol
Exact Mass399.03
IUPAC Name4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc3[nH]cc(C(=O)c4cc(Cl)nn4Cl)c23)cc1
InChIInChI=1S/C18H11Cl2N5O2/c19-14-7-13(25(20)24-14)16(26)12-8-23-18-15(12)11(5-6-22-18)9-1-3-10(4-2-9)17(21)27/h1-8H,(H2,21,27)(H,22,23)
InChIKeyFIQWEIIXPMFDLY-UHFFFAOYSA-N
XLogP3.41
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384757
1-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]propan-2-one
CID 58086102
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-diaminophenyl)methanone
CID 115512779
[4-(3,5-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-fluorophenyl)methanone
CID 11348729
(4-chloro-3-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107998394
4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 58754724
(3-amino-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512800
(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143385108
N-[3-[3-(2,3-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanesulfinamide
CID 143071890
(5-chloro-2-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512689
4-[3-(4-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
CID 135316324
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 143384981) is 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is NC(=O)c1ccc(-c2ccnc3[nH]cc(C(=O)c4cc(Cl)nn4Cl)c23)cc1.
What is the InChIKey of 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is FIQWEIIXPMFDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O2/c19-14-7-13(25(20)24-14)16(26)12-8-23-18-15(12)11(5-6-22-18)9-1-3-10(4-2-9)17(21)27/h1-8H,(H2,21,27)(H,22,23).
What are the key properties of 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 400.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dichloropyrazole-5-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 143384981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).