2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile

C23H25N5O2 — CID 89434705

IUPAC2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
SMILESCOCCn1cc(Nc2cc(-c3ccc(OCC4CCC4)c(C#N)c3)ccn2)cn1
InChIInChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27)
InChIKeyALNFAQPPDFVBLE-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.39
Rot. Bonds9

About 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile

2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile (PubChem CID 89434705) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
PubChem CID89434705
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
SMILESCOCCn1cc(Nc2cc(-c3ccc(OCC4CCC4)c(C#N)c3)ccn2)cn1
InChIInChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27)
InChIKeyALNFAQPPDFVBLE-UHFFFAOYSA-N
XLogP4.39
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile (CID 89434705) is 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile is COCCn1cc(Nc2cc(-c3ccc(OCC4CCC4)c(C#N)c3)ccn2)cn1.
What is the InChIKey of 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The InChIKey is ALNFAQPPDFVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27).
What are the key properties of 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile has a molecular weight of 403.49 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 89434705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).