1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone

C31H21N3O — CID 158663916

IUPAC1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33)
InChIKeyIDCJIQJBOVCYAH-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.16
Rot. Bonds4

About 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone (PubChem CID 158663916) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone.

Molecular Properties

Compound Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
PubChem CID158663916
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone
SMILESO=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12
InChIInChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33)
InChIKeyIDCJIQJBOVCYAH-UHFFFAOYSA-N
XLogP7.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7H-cyclopenta[b]pyridin-4-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-fluoren-9-yl]ethanone
CID 158694628
N-[4-(1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15942612
N-[4-[5-(2H-tetrazol-5-yl)-3-pyridinyl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334080
N-[(9R)-4-(6-formamido-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 90859906
N-[(9R)-4-(6-fluoro-5-hydroxy-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 91578411
N-[4-[6-(dimethylamino)-1H-benzimidazol-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 15940908
N-[4-(6-morpholin-4-yl-3-pyridinyl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 24947167
N-(3-hydroxypropyl)-2-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxamide
CID 15941221
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334057
2-amino-3-[5-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]thiophen-2-yl]propanoic acid
CID 59334129
N-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-9H-fluoren-9-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 59334065
3-(3-propyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67501721

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The IUPAC name of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone (CID 158663916) is 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone.
What is the SMILES notation for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The canonical SMILES for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone is O=C(CC1c2ccccc2-c2c(-c3cnc4ccccc4c3)cccc21)c1ccnc2[nH]ccc12.
What is the InChIKey of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
The InChIKey is IDCJIQJBOVCYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c35-29(23-12-14-32-31-26(23)13-15-33-31)17-27-22-7-2-3-8-24(22)30-21(9-5-10-25(27)30)20-16-19-6-1-4-11-28(19)34-18-20/h1-16,18,27H,17H2,(H,32,33).
What are the key properties of 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone?
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone has a molecular weight of 451.53 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-(4-quinolin-3-yl-9H-fluoren-9-yl)ethanone is sourced from PubChem (CID 158663916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).