2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile

C25H25N5O2 — CID 71295090

IUPAC2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cn3)c2)ccc1OCC1CC1
InChIInChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29)
InChIKeyWPPGTNKIMPNPSA-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.38
Rot. Bonds7

About 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile

2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile (PubChem CID 71295090) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
PubChem CID71295090
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cn3)c2)ccc1OCC1CC1
InChIInChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29)
InChIKeyWPPGTNKIMPNPSA-UHFFFAOYSA-N
XLogP4.38
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.38
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-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile (CID 71295090) is 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile is N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cn3)c2)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile?
The InChIKey is WPPGTNKIMPNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29).
What are the key properties of 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile?
2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile has a molecular weight of 427.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 71295090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).