4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide

C23H22N4O2 — CID 149269246

IUPAC4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCC(O)c1cnc2[nH]cc(-c3cncc(-c4ccc(C(=O)N(C)C)cc4)c3)c2c1
InChIInChI=1S/C23H22N4O2/c1-14(28)17-9-20-21(13-26-22(20)25-12-17)19-8-18(10-24-11-19)15-4-6-16(7-5-15)23(29)27(2)3/h4-14,28H,1-3H3,(H,25,26)
InChIKeyXQSWLKXSXUYPHQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.05
Rot. Bonds4

About 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide

4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 149269246) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID149269246
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCC(O)c1cnc2[nH]cc(-c3cncc(-c4ccc(C(=O)N(C)C)cc4)c3)c2c1
InChIInChI=1S/C23H22N4O2/c1-14(28)17-9-20-21(13-26-22(20)25-12-17)19-8-18(10-24-11-19)15-4-6-16(7-5-15)23(29)27(2)3/h4-14,28H,1-3H3,(H,25,26)
InChIKeyXQSWLKXSXUYPHQ-UHFFFAOYSA-N
XLogP4.05
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274386
2-hydroxy-N,N-dimethyl-2-[5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]acetamide
CID 59824883
4-[5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 146274734
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
4-[5-(2,7-dimethyl-1,3-dihydroisoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 151750137
2-hydroxy-N,N-dimethyl-2-[5-[3-(2-sulfanylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 59825089
5-[3-[4-(dimethylcarbamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(4-methylpiperazin-1-yl)benzamide
CID 146274485
4-[5-[4-amino-3-(dimethylcarbamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 172556690
N,N-dimethyl-5-[3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166911
4-[5-[3-cyclopropyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethylbenzamide
CID 146274808
N,N-dimethyl-4-[5-[2-(1-methylpiperidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 156778026
N,N-dimethyl-6-[5-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 164577833

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide (CID 149269246) is 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide is CC(O)c1cnc2[nH]cc(-c3cncc(-c4ccc(C(=O)N(C)C)cc4)c3)c2c1.
What is the InChIKey of 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is XQSWLKXSXUYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(28)17-9-20-21(13-26-22(20)25-12-17)19-8-18(10-24-11-19)15-4-6-16(7-5-15)23(29)27(2)3/h4-14,28H,1-3H3,(H,25,26).
What are the key properties of 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide?
4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 386.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 149269246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).