2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

C20H28N6O3 — CID 92607315

IUPAC2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)cc2n1
InChIInChI=1S/C20H28N6O3/c1-24(2)20-21-11-15-17(23-20)10-16(22-19(15)28)14-4-3-5-26(12-14)18(27)13-25-6-8-29-9-7-25/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,28)/t14-/m1/s1
InChIKeyDRBFBHSVLHDZIN-CQSZACIVSA-N
MW400.48 g/mol
LogP0.42
Rot. Bonds4

About 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92607315) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92607315
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)cc2n1
InChIInChI=1S/C20H28N6O3/c1-24(2)20-21-11-15-17(23-20)10-16(22-19(15)28)14-4-3-5-26(12-14)18(27)13-25-6-8-29-9-7-25/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,28)/t14-/m1/s1
InChIKeyDRBFBHSVLHDZIN-CQSZACIVSA-N
XLogP0.42
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92607315) is 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is CN(C)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)cc2n1.
What is the InChIKey of 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DRBFBHSVLHDZIN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-24(2)20-21-11-15-17(23-20)10-16(22-19(15)28)14-4-3-5-26(12-14)18(27)13-25-6-8-29-9-7-25/h10-11,14H,3-9,12-13H2,1-2H3,(H,22,28)/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 400.48 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92607315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).