2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

C26H23N5O3 — CID 135355212

IUPAC2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCO)c(=O)c2)cc1=O
InChIInChI=1S/C26H23N5O3/c1-29-16-23(21(12-25(29)33)18-7-8-30(9-10-32)26(34)11-18)19-14-28-31(15-19)24-4-2-3-20(17-5-6-17)22(24)13-27/h2-4,7-8,11-12,14-17,32H,5-6,9-10H2,1H3
InChIKeyZVYDKFWBSOEWTD-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.81
Rot. Bonds6

About 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile

2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355212) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355212
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCO)c(=O)c2)cc1=O
InChIInChI=1S/C26H23N5O3/c1-29-16-23(21(12-25(29)33)18-7-8-30(9-10-32)26(34)11-18)19-14-28-31(15-19)24-4-2-3-20(17-5-6-17)22(24)13-27/h2-4,7-8,11-12,14-17,32H,5-6,9-10H2,1H3
InChIKeyZVYDKFWBSOEWTD-UHFFFAOYSA-N
XLogP2.81
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355212) is 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCO)c(=O)c2)cc1=O.
What is the InChIKey of 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is ZVYDKFWBSOEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-29-16-23(21(12-25(29)33)18-7-8-30(9-10-32)26(34)11-18)19-14-28-31(15-19)24-4-2-3-20(17-5-6-17)22(24)13-27/h2-4,7-8,11-12,14-17,32H,5-6,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 453.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[4-[1-(2-hydroxyethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).