2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile

C24H24N6O2 — CID 71295092

IUPAC2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ncc4c(n3)CCNC4)c2)ccc1OC1CCOCC1
InChIInChI=1S/C24H24N6O2/c25-13-18-11-16(1-2-22(18)32-20-5-9-31-10-6-20)17-3-8-27-23(12-17)30-24-28-15-19-14-26-7-4-21(19)29-24/h1-3,8,11-12,15,20,26H,4-7,9-10,14H2,(H,27,28,29,30)
InChIKeyVVSBXDVZQDKKTO-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.36
Rot. Bonds5

About 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile

2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile (PubChem CID 71295092) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile
PubChem CID71295092
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ncc4c(n3)CCNC4)c2)ccc1OC1CCOCC1
InChIInChI=1S/C24H24N6O2/c25-13-18-11-16(1-2-22(18)32-20-5-9-31-10-6-20)17-3-8-27-23(12-17)30-24-28-15-19-14-26-7-4-21(19)29-24/h1-3,8,11-12,15,20,26H,4-7,9-10,14H2,(H,27,28,29,30)
InChIKeyVVSBXDVZQDKKTO-UHFFFAOYSA-N
XLogP3.36
TPSA104.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile?
The IUPAC name of 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile (CID 71295092) is 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile is N#Cc1cc(-c2ccnc(Nc3ncc4c(n3)CCNC4)c2)ccc1OC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile?
The InChIKey is VVSBXDVZQDKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c25-13-18-11-16(1-2-22(18)32-20-5-9-31-10-6-20)17-3-8-27-23(12-17)30-24-28-15-19-14-26-7-4-21(19)29-24/h1-3,8,11-12,15,20,26H,4-7,9-10,14H2,(H,27,28,29,30).
What are the key properties of 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile?
2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile has a molecular weight of 428.50 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-5-[2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylamino)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 71295092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).