3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C21H25N5O3 — CID 126940655

IUPAC3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1c2ccc(C(=O)N3CCC(Cn4cncc(C)c4=O)CC3)cc2nn1C
InChIInChI=1S/C21H25N5O3/c1-14-11-22-13-26(19(14)27)12-15-6-8-25(9-7-15)20(28)16-4-5-17-18(10-16)23-24(2)21(17)29-3/h4-5,10-11,13,15H,6-9,12H2,1-3H3
InChIKeyOETULEKBLPVZKK-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.00
Rot. Bonds4

About 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940655) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940655
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCOc1c2ccc(C(=O)N3CCC(Cn4cncc(C)c4=O)CC3)cc2nn1C
InChIInChI=1S/C21H25N5O3/c1-14-11-22-13-26(19(14)27)12-15-6-8-25(9-7-15)20(28)16-4-5-17-18(10-16)23-24(2)21(17)29-3/h4-5,10-11,13,15H,6-9,12H2,1-3H3
InChIKeyOETULEKBLPVZKK-UHFFFAOYSA-N
XLogP2.00
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944296
3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940597
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
3-[[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940591
5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
5-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940641
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
2-[[1-(3-methoxy-2-methylindazole-6-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929639
1'-(3-methoxy-2-methylindazole-6-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618189
(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72719017
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940655) is 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is COc1c2ccc(C(=O)N3CCC(Cn4cncc(C)c4=O)CC3)cc2nn1C.
What is the InChIKey of 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is OETULEKBLPVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-11-22-13-26(19(14)27)12-15-6-8-25(9-7-15)20(28)16-4-5-17-18(10-16)23-24(2)21(17)29-3/h4-5,10-11,13,15H,6-9,12H2,1-3H3.
What are the key properties of 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).