4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine

C26H30N6O — CID 160635160

IUPAC4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine
SMILESc1cc(-c2nc(N3CCCCC3)c3c(C4CC4)cncc3n2)cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1
InChIInChI=1S/C26H30N6O/c1-2-10-32(11-3-1)26-24-19(16-4-5-16)14-27-15-21(24)30-25(31-26)17-8-9-28-23(12-17)29-20-13-18-6-7-22(20)33-18/h8-9,12,14-16,18,20,22H,1-7,10-11,13H2,(H,28,29)/t18-,20-,22+/m1/s1
InChIKeyRILDYJYVEXLENE-UZKOGDIHSA-N
MW442.57 g/mol
LogP4.69
Rot. Bonds5

About 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine

4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine (PubChem CID 160635160) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine
PubChem CID160635160
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine
SMILESc1cc(-c2nc(N3CCCCC3)c3c(C4CC4)cncc3n2)cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1
InChIInChI=1S/C26H30N6O/c1-2-10-32(11-3-1)26-24-19(16-4-5-16)14-27-15-21(24)30-25(31-26)17-8-9-28-23(12-17)29-20-13-18-6-7-22(20)33-18/h8-9,12,14-16,18,20,22H,1-7,10-11,13H2,(H,28,29)/t18-,20-,22+/m1/s1
InChIKeyRILDYJYVEXLENE-UZKOGDIHSA-N
XLogP4.69
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine 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 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine (CID 160635160) is 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine is c1cc(-c2nc(N3CCCCC3)c3c(C4CC4)cncc3n2)cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1.
What is the InChIKey of 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine?
The InChIKey is RILDYJYVEXLENE-UZKOGDIHSA-N. The full InChI is InChI=1S/C26H30N6O/c1-2-10-32(11-3-1)26-24-19(16-4-5-16)14-27-15-21(24)30-25(31-26)17-8-9-28-23(12-17)29-20-13-18-6-7-22(20)33-18/h8-9,12,14-16,18,20,22H,1-7,10-11,13H2,(H,28,29)/t18-,20-,22+/m1/s1.
What are the key properties of 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine?
4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyridin-2-amine is sourced from PubChem (CID 160635160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).