2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone

C23H20N4O — CID 166189789

IUPAC2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccc(NCc2ccnc3[nH]ccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H20N4O/c28-23(27-14-11-16-3-1-2-4-21(16)27)17-5-7-19(8-6-17)26-15-18-9-12-24-22-20(18)10-13-25-22/h1-10,12-13,26H,11,14-15H2,(H,24,25)
InChIKeyPAZXYBFTTARXER-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.38
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone

2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone (PubChem CID 166189789) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone
PubChem CID166189789
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccc(NCc2ccnc3[nH]ccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H20N4O/c28-23(27-14-11-16-3-1-2-4-21(16)27)17-5-7-19(8-6-17)26-15-18-9-12-24-22-20(18)10-13-25-22/h1-10,12-13,26H,11,14-15H2,(H,24,25)
InChIKeyPAZXYBFTTARXER-UHFFFAOYSA-N
XLogP4.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2,3-dihydroindol-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109255112
2,3-dihydroindol-1-yl-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]methanone
CID 109159706
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone (CID 166189789) is 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone is O=C(c1ccc(NCc2ccnc3[nH]ccc23)cc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone?
The InChIKey is PAZXYBFTTARXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(27-14-11-16-3-1-2-4-21(16)27)17-5-7-19(8-6-17)26-15-18-9-12-24-22-20(18)10-13-25-22/h1-10,12-13,26H,11,14-15H2,(H,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone has a molecular weight of 368.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 166189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).