[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C24H22F2N4O2 — CID 58086877

IUPAC[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCN(CC)c1ccc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cn1
InChIInChI=1S/C24H22F2N4O2/c1-3-30(4-2)20-10-7-15(12-28-20)14-32-19-9-8-18(25)21(22(19)26)23(31)17-13-29-24-16(17)6-5-11-27-24/h5-13H,3-4,14H2,1-2H3,(H,27,29)
InChIKeyOCZYDTAMHXTNAS-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.89
Rot. Bonds8

About [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58086877) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58086877
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCN(CC)c1ccc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cn1
InChIInChI=1S/C24H22F2N4O2/c1-3-30(4-2)20-10-7-15(12-28-20)14-32-19-9-8-18(25)21(22(19)26)23(31)17-13-29-24-16(17)6-5-11-27-24/h5-13H,3-4,14H2,1-2H3,(H,27,29)
InChIKeyOCZYDTAMHXTNAS-UHFFFAOYSA-N
XLogP4.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58086877) is [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCN(CC)c1ccc(COc2ccc(F)c(C(=O)c3c[nH]c4ncccc34)c2F)cn1.
What is the InChIKey of [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is OCZYDTAMHXTNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O2/c1-3-30(4-2)20-10-7-15(12-28-20)14-32-19-9-8-18(25)21(22(19)26)23(31)17-13-29-24-16(17)6-5-11-27-24/h5-13H,3-4,14H2,1-2H3,(H,27,29).
What are the key properties of [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 436.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(diethylamino)-3-pyridinyl]methoxy]-2,6-difluorophenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58086877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).