3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one

C21H26N6O3 — CID 118498310

IUPAC3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1ncc2c(=O)[nH]c(CCCC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)cn12
InChIInChI=1S/C21H26N6O3/c1-14-22-11-18-21(30)24-17(13-27(14)18)4-3-5-19(28)26-8-6-15(7-9-26)20(29)16-10-23-25(2)12-16/h10-13,15H,3-9H2,1-2H3,(H,24,30)
InChIKeyMOCJTCBSZOZLIV-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.51
Rot. Bonds6

About 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one

3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 118498310) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID118498310
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCc1ncc2c(=O)[nH]c(CCCC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)cn12
InChIInChI=1S/C21H26N6O3/c1-14-22-11-18-21(30)24-17(13-27(14)18)4-3-5-19(28)26-8-6-15(7-9-26)20(29)16-10-23-25(2)12-16/h10-13,15H,3-9H2,1-2H3,(H,24,30)
InChIKeyMOCJTCBSZOZLIV-UHFFFAOYSA-N
XLogP1.51
TPSA105.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-2-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-3H-thieno[3,4-d]pyrimidin-4-one
CID 136930815
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-(1-methylpyrazole-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126682481
6-methyl-3-[4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126694505
7-fluoro-3-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126682478
1-methyl-6-[4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136929613
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
7-fluoro-2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929591
2-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930804
6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136930790
2-[4-[4-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 118498310) is 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one is Cc1ncc2c(=O)[nH]c(CCCC(=O)N3CCC(C(=O)c4cnn(C)c4)CC3)cn12.
What is the InChIKey of 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is MOCJTCBSZOZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-14-22-11-18-21(30)24-17(13-27(14)18)4-3-5-19(28)26-8-6-15(7-9-26)20(29)16-10-23-25(2)12-16/h10-13,15H,3-9H2,1-2H3,(H,24,30).
What are the key properties of 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 410.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 118498310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).