2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one

C18H16N2O2 — CID 166365244

IUPAC2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccnc4[nH]ccc34)ccc2O1
InChIInChI=1S/C18H16N2O2/c1-18(2)10-15(21)14-9-11(3-4-16(14)22-18)12-5-7-19-17-13(12)6-8-20-17/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyPAMSIYGKJCMWNG-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.97
Rot. Bonds1

About 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one

2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one (PubChem CID 166365244) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
PubChem CID166365244
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2cc(-c3ccnc4[nH]ccc34)ccc2O1
InChIInChI=1S/C18H16N2O2/c1-18(2)10-15(21)14-9-11(3-4-16(14)22-18)12-5-7-19-17-13(12)6-8-20-17/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyPAMSIYGKJCMWNG-UHFFFAOYSA-N
XLogP3.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 139035060
CID 139035060
(Z)-2-[(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one
CID 54576042
(E)-3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 155533282
Tnik-IN-3
CID 162641720
3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 23625310
(2Z)-6-methoxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 137634969
(2Z)-2-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 137636187
(2Z)-2-[(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 137645147
4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 59812076
(2Z)-6-hydroxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 86681992
(2Z)-6-hydroxy-2-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 86681998
6,7,10-trimethoxy-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzo[h]chromen-4-one
CID 141533896

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one?
The IUPAC name of 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one (CID 166365244) is 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one.
What is the SMILES notation for 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one?
The canonical SMILES for 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one is CC1(C)CC(=O)c2cc(-c3ccnc4[nH]ccc34)ccc2O1.
What is the InChIKey of 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one?
The InChIKey is PAMSIYGKJCMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-18(2)10-15(21)14-9-11(3-4-16(14)22-18)12-5-7-19-17-13(12)6-8-20-17/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one?
2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-chromen-4-one is sourced from PubChem (CID 166365244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).