6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one

C25H28N8O2 — CID 126682490

IUPAC6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCc1cnc2c(=O)[nH]c(CCCC(=O)N3CCC(c4cnc(N)c(-c5ncccn5)c4)CC3)cn12
InChIInChI=1S/C25H28N8O2/c1-16-13-30-24-25(35)31-19(15-33(16)24)4-2-5-21(34)32-10-6-17(7-11-32)18-12-20(22(26)29-14-18)23-27-8-3-9-28-23/h3,8-9,12-15,17H,2,4-7,10-11H2,1H3,(H2,26,29)(H,31,35)
InChIKeyQJXQCVQPDYNTNQ-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.49
Rot. Bonds6

About 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one

6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 126682490) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID126682490
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCc1cnc2c(=O)[nH]c(CCCC(=O)N3CCC(c4cnc(N)c(-c5ncccn5)c4)CC3)cn12
InChIInChI=1S/C25H28N8O2/c1-16-13-30-24-25(35)31-19(15-33(16)24)4-2-5-21(34)32-10-6-17(7-11-32)18-12-20(22(26)29-14-18)23-27-8-3-9-28-23/h3,8-9,12-15,17H,2,4-7,10-11H2,1H3,(H2,26,29)(H,31,35)
InChIKeyQJXQCVQPDYNTNQ-UHFFFAOYSA-N
XLogP2.49
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one with MolForge

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Related Compounds

2-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929601
3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 118498310
7-fluoro-3-[4-[4-(1-methylpyrazole-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126682481
6-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 126682520
6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118507414
7-fluoro-3-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126682478
2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881093
4-(1-methylindol-3-yl)-1-[(3S)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92566868
4-(1-methylindol-3-yl)-1-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110235477
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
CID 23587223
6-methyl-2-[4-oxo-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929598
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one (CID 126682490) is 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one is Cc1cnc2c(=O)[nH]c(CCCC(=O)N3CCC(c4cnc(N)c(-c5ncccn5)c4)CC3)cn12.
What is the InChIKey of 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is QJXQCVQPDYNTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-16-13-30-24-25(35)31-19(15-33(16)24)4-2-5-21(34)32-10-6-17(7-11-32)18-12-20(22(26)29-14-18)23-27-8-3-9-28-23/h3,8-9,12-15,17H,2,4-7,10-11H2,1H3,(H2,26,29)(H,31,35).
What are the key properties of 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 472.55 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(6-amino-5-pyrimidin-2-yl-3-pyridinyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 126682490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).