2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

C23H26N8O2 — CID 46951511

IUPAC2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCCN(C(=O)c4cn5cccnc5n4)C3)cc2n1
InChIInChI=1S/C23H26N8O2/c1-3-29(4-2)23-25-12-16-18(27-23)11-17(26-20(16)32)15-7-5-9-30(13-15)21(33)19-14-31-10-6-8-24-22(31)28-19/h6,8,10-12,14-15H,3-5,7,9,13H2,1-2H3,(H,26,32)
InChIKeyRTTWGPLIKBJCMU-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.23
Rot. Bonds5

About 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 46951511) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID46951511
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCCN(C(=O)c4cn5cccnc5n4)C3)cc2n1
InChIInChI=1S/C23H26N8O2/c1-3-29(4-2)23-25-12-16-18(27-23)11-17(26-20(16)32)15-7-5-9-30(13-15)21(33)19-14-31-10-6-8-24-22(31)28-19/h6,8,10-12,14-15H,3-5,7,9,13H2,1-2H3,(H,26,32)
InChIKeyRTTWGPLIKBJCMU-UHFFFAOYSA-N
XLogP2.23
TPSA112.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 46951511) is 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is CCN(CC)c1ncc2c(=O)[nH]c(C3CCCN(C(=O)c4cn5cccnc5n4)C3)cc2n1.
What is the InChIKey of 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is RTTWGPLIKBJCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-3-29(4-2)23-25-12-16-18(27-23)11-17(26-20(16)32)15-7-5-9-30(13-15)21(33)19-14-31-10-6-8-24-22(31)28-19/h6,8,10-12,14-15H,3-5,7,9,13H2,1-2H3,(H,26,32).
What are the key properties of 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 446.52 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-3-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 46951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).