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

C22H19N3O3 — CID 46234350

IUPAC4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyLDSGVXMQTMOTLO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.01
Rot. Bonds5

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

4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 46234350) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
PubChem CID46234350
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC
InChIInChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25)
InChIKeyLDSGVXMQTMOTLO-UHFFFAOYSA-N
XLogP4.01
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 6419753
4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene}-2,3-dihydro-1H-indol-2-one
CID 10215912
4-[2-Amino-5-(4-hydroxy-3-methoxyphenyl)pyridin-3-yl]benzamide
CID 44520782
JAK inhibitor 17b
CID 137321156
3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 117779854
9-Cycloheptyl-4,5-dimethoxy-9,14,16-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-8-one
CID 138585023
(E)-3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 155533282
3-{[(3Z)-6-(4-hydroxy-3-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 23646844
4-[2-Amino-5-(1,3-benzodioxol-4-yl)pyridin-3-yl]benzamide
CID 44520783
AAK1-IN-21b
CID 138393295

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 46234350) is 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is COc1ccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)cc1OC.
What is the InChIKey of 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is LDSGVXMQTMOTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 46234350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).