7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine

C20H23N7O — CID 11014315

IUPAC7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCCC3)c12
InChIInChI=1S/C20H23N7O/c21-19-18-16(26-5-1-2-6-26)11-15(25-20(18)24-13-23-19)14-3-4-17(22-12-14)27-7-9-28-10-8-27/h3-4,11-13H,1-2,5-10H2,(H2,21,23,24,25)
InChIKeyPAWZKUQQBKLYTA-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.11
Rot. Bonds3

About 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine

7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11014315) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11014315
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCCC3)c12
InChIInChI=1S/C20H23N7O/c21-19-18-16(26-5-1-2-6-26)11-15(25-20(18)24-13-23-19)14-3-4-17(22-12-14)27-7-9-28-10-8-27/h3-4,11-13H,1-2,5-10H2,(H2,21,23,24,25)
InChIKeyPAWZKUQQBKLYTA-UHFFFAOYSA-N
XLogP2.11
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine (CID 11014315) is 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCCC3)c12.
What is the InChIKey of 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is PAWZKUQQBKLYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c21-19-18-16(26-5-1-2-6-26)11-15(25-20(18)24-13-23-19)14-3-4-17(22-12-14)27-7-9-28-10-8-27/h3-4,11-13H,1-2,5-10H2,(H2,21,23,24,25).
What are the key properties of 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine?
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 377.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11014315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).