N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine

C25H26N8O2 — CID 50906785

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c3cccnc3n2)nc1
InChIInChI=1S/C25H26N8O2/c1-2-6-26-20(5-1)24-30-22-19(4-3-7-27-22)23(31-24)29-21-16-18(32-8-12-34-13-9-32)17-28-25(21)33-10-14-35-15-11-33/h1-7,16-17H,8-15H2,(H,27,29,30,31)
InChIKeyKQHUDUVTEBNPRV-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.90
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 50906785) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID50906785
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c3cccnc3n2)nc1
InChIInChI=1S/C25H26N8O2/c1-2-6-26-20(5-1)24-30-22-19(4-3-7-27-22)23(31-24)29-21-16-18(32-8-12-34-13-9-32)17-28-25(21)33-10-14-35-15-11-33/h1-7,16-17H,8-15H2,(H,27,29,30,31)
InChIKeyKQHUDUVTEBNPRV-UHFFFAOYSA-N
XLogP2.90
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 50906785) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine is c1ccc(-c2nc(Nc3cc(N4CCOCC4)cnc3N3CCOCC3)c3cccnc3n2)nc1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KQHUDUVTEBNPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-2-6-26-20(5-1)24-30-22-19(4-3-7-27-22)23(31-24)29-21-16-18(32-8-12-34-13-9-32)17-28-25(21)33-10-14-35-15-11-33/h1-7,16-17H,8-15H2,(H,27,29,30,31).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 470.54 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 50906785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).