ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen

C22H29N3O3 — CID 164564840

IUPACethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen
SMILESCC.CCOc1cc(-c2cc3cnc(CC(=O)C4CC(O)C4)cc3[nH]2)ccn1.[H][H]
InChIInChI=1S/C20H21N3O3.C2H6.H2/c1-2-26-20-8-12(3-4-21-20)17-7-14-11-22-15(9-18(14)23-17)10-19(25)13-5-16(24)6-13;1-2;/h3-4,7-9,11,13,16,23-24H,2,5-6,10H2,1H3;1-2H3;1H
InChIKeyADVTZUTUFBDGQB-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.18
Rot. Bonds6

About ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen

ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen (PubChem CID 164564840) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen
PubChem CID164564840
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Nameethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen
SMILESCC.CCOc1cc(-c2cc3cnc(CC(=O)C4CC(O)C4)cc3[nH]2)ccn1.[H][H]
InChIInChI=1S/C20H21N3O3.C2H6.H2/c1-2-26-20-8-12(3-4-21-20)17-7-14-11-22-15(9-18(14)23-17)10-19(25)13-5-16(24)6-13;1-2;/h3-4,7-9,11,13,16,23-24H,2,5-6,10H2,1H3;1-2H3;1H
InChIKeyADVTZUTUFBDGQB-UHFFFAOYSA-N
XLogP4.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen?
The IUPAC name of ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen (CID 164564840) is ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen.
What is the SMILES notation for ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen?
The canonical SMILES for ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen is CC.CCOc1cc(-c2cc3cnc(CC(=O)C4CC(O)C4)cc3[nH]2)ccn1.[H][H].
What is the InChIKey of ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen?
The InChIKey is ADVTZUTUFBDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C2H6.H2/c1-2-26-20-8-12(3-4-21-20)17-7-14-11-22-15(9-18(14)23-17)10-19(25)13-5-16(24)6-13;1-2;/h3-4,7-9,11,13,16,23-24H,2,5-6,10H2,1H3;1-2H3;1H.
What are the key properties of ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen?
ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen has a molecular weight of 383.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(2-ethoxy-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-(3-hydroxycyclobutyl)ethanone;molecular hydrogen is sourced from PubChem (CID 164564840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).