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

C26H22FN5O2 — CID 135355140

IUPAC2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCF)c(=O)c2)cc1=O
InChIInChI=1S/C26H22FN5O2/c1-30-16-23(21(12-25(30)33)18-7-9-31(10-8-27)26(34)11-18)19-14-29-32(15-19)24-4-2-3-20(17-5-6-17)22(24)13-28/h2-4,7,9,11-12,14-17H,5-6,8,10H2,1H3
InChIKeyYEGADZAHSZNVDK-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.79
Rot. Bonds6

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

2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (PubChem CID 135355140) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
PubChem CID135355140
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile
SMILESCn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCF)c(=O)c2)cc1=O
InChIInChI=1S/C26H22FN5O2/c1-30-16-23(21(12-25(30)33)18-7-9-31(10-8-27)26(34)11-18)19-14-29-32(15-19)24-4-2-3-20(17-5-6-17)22(24)13-28/h2-4,7,9,11-12,14-17H,5-6,8,10H2,1H3
InChIKeyYEGADZAHSZNVDK-UHFFFAOYSA-N
XLogP3.79
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US10617680, Example 375
CID 135355322
US10617680, Example 372
CID 135355357
US10617680, Example 215
CID 135355409
US10617680, Example 378
CID 135355415
US10617680, Example 374
CID 135355426
US10617680, Example 367
CID 135355538
US10617680, Example 318
CID 135355558
US10617680, Example 273
CID 135355587
US10617680, Example 275
CID 135355591
US10617680, Example 240
CID 155295441
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]quinolin-2-one
CID 71540387
US10617680, Example 212
CID 135355134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-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-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile (CID 135355140) is 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-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-fluoroethyl)-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-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is Cn1cc(-c2cnn(-c3cccc(C4CC4)c3C#N)c2)c(-c2ccn(CCF)c(=O)c2)cc1=O.
What is the InChIKey of 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
The InChIKey is YEGADZAHSZNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-30-16-23(21(12-25(30)33)18-7-9-31(10-8-27)26(34)11-18)19-14-29-32(15-19)24-4-2-3-20(17-5-6-17)22(24)13-28/h2-4,7,9,11-12,14-17H,5-6,8,10H2,1H3.
What are the key properties of 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile?
2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile has a molecular weight of 455.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[4-[4-[1-(2-fluoroethyl)-2-oxo-4-pyridinyl]-1-methyl-6-oxo-3-pyridinyl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 135355140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).