ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen

C25H33N7O4 — CID 144709837

IUPACethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen
SMILESCC.Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)nc3)ccn2)cn1.[H][H]
InChIInChI=1S/C23H25N7O4.C2H6.H2/c1-28-15-16(13-26-28)20-12-18(4-7-24-20)34-19-2-3-21(25-14-19)27-22(31)30-9-8-29(23(30)32)17-5-10-33-11-6-17;1-2;/h2-4,7,12-15,17H,5-6,8-11H2,1H3,(H,25,27,31);1-2H3;1H
InChIKeyADCFHGIAPUDASZ-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.39
Rot. Bonds5

About ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen

ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen (PubChem CID 144709837) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen
PubChem CID144709837
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC Nameethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen
SMILESCC.Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)nc3)ccn2)cn1.[H][H]
InChIInChI=1S/C23H25N7O4.C2H6.H2/c1-28-15-16(13-26-28)20-12-18(4-7-24-20)34-19-2-3-21(25-14-19)27-22(31)30-9-8-29(23(30)32)17-5-10-33-11-6-17;1-2;/h2-4,7,12-15,17H,5-6,8-11H2,1H3,(H,25,27,31);1-2H3;1H
InChIKeyADCFHGIAPUDASZ-UHFFFAOYSA-N
XLogP4.39
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen (CID 144709837) is ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen is CC.Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCN(C5CCOCC5)C4=O)nc3)ccn2)cn1.[H][H].
What is the InChIKey of ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen?
The InChIKey is ADCFHGIAPUDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4.C2H6.H2/c1-28-15-16(13-26-28)20-12-18(4-7-24-20)34-19-2-3-21(25-14-19)27-22(31)30-9-8-29(23(30)32)17-5-10-33-11-6-17;1-2;/h2-4,7,12-15,17H,5-6,8-11H2,1H3,(H,25,27,31);1-2H3;1H.
What are the key properties of ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen?
ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen has a molecular weight of 495.58 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 144709837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).