5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

C23H23N5O2 — CID 71295233

IUPAC5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cc(C4CC4)[nH]n3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28)
InChIKeyWSZQEIWUWGBMDJ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.52
Rot. Bonds6

About 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295233) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295233
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cc(C4CC4)[nH]n3)c2)ccc1OC1CCOCC1
InChIInChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28)
InChIKeyWSZQEIWUWGBMDJ-UHFFFAOYSA-N
XLogP4.52
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile (CID 71295233) is 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc(Nc3cc(C4CC4)[nH]n3)c2)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is WSZQEIWUWGBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28).
What are the key properties of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 401.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyridinyl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).