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

C22H23N5O2 — CID 71295167

IUPAC2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
SMILESCOCCn1cc(Nc2cc(-c3ccc(OCC4CC4)c(C#N)c3)ccn2)cn1
InChIInChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26)
InChIKeyYJYNURQSPOYQLL-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.00
Rot. Bonds9

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

2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile (PubChem CID 71295167) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
PubChem CID71295167
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile
SMILESCOCCn1cc(Nc2cc(-c3ccc(OCC4CC4)c(C#N)c3)ccn2)cn1
InChIInChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26)
InChIKeyYJYNURQSPOYQLL-UHFFFAOYSA-N
XLogP4.00
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile (CID 71295167) is 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile is COCCn1cc(Nc2cc(-c3ccc(OCC4CC4)c(C#N)c3)ccn2)cn1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
The InChIKey is YJYNURQSPOYQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26).
What are the key properties of 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile?
2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile has a molecular weight of 389.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 71295167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).