1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one

C21H26N8O4 — CID 155796119

IUPAC1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
SMILESCC1=C(N2CCN(C3CCN(CC(O)c4c(-n5cnnn5)ccnc4C)C3)C2=O)COC1=O
InChIInChI=1S/C21H26N8O4/c1-13-17(11-33-20(13)31)28-8-7-27(21(28)32)15-4-6-26(9-15)10-18(30)19-14(2)22-5-3-16(19)29-12-23-24-25-29/h3,5,12,15,18,30H,4,6-11H2,1-2H3
InChIKeyNUCQXDXAZAYEQV-UHFFFAOYSA-N
MW454.49 g/mol
LogP0.04
Rot. Bonds6

About 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one

1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one (PubChem CID 155796119) has the molecular formula C21H26N8O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
PubChem CID155796119
Molecular FormulaC21H26N8O4
Molecular Weight454.49 g/mol
Exact Mass454.21
IUPAC Name1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one
SMILESCC1=C(N2CCN(C3CCN(CC(O)c4c(-n5cnnn5)ccnc4C)C3)C2=O)COC1=O
InChIInChI=1S/C21H26N8O4/c1-13-17(11-33-20(13)31)28-8-7-27(21(28)32)15-4-6-26(9-15)10-18(30)19-14(2)22-5-3-16(19)29-12-23-24-25-29/h3,5,12,15,18,30H,4,6-11H2,1-2H3
InChIKeyNUCQXDXAZAYEQV-UHFFFAOYSA-N
XLogP0.04
TPSA129.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The IUPAC name of 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one (CID 155796119) is 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one is CC1=C(N2CCN(C3CCN(CC(O)c4c(-n5cnnn5)ccnc4C)C3)C2=O)COC1=O.
What is the InChIKey of 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?
The InChIKey is NUCQXDXAZAYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O4/c1-13-17(11-33-20(13)31)28-8-7-27(21(28)32)15-4-6-26(9-15)10-18(30)19-14(2)22-5-3-16(19)29-12-23-24-25-29/h3,5,12,15,18,30H,4,6-11H2,1-2H3.
What are the key properties of 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one?
1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one has a molecular weight of 454.49 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-2-[2-methyl-4-(tetrazol-1-yl)-3-pyridinyl]ethyl]pyrrolidin-3-yl]-3-(4-methyl-5-oxo-2H-furan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 155796119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).