6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C24H31N5O3 — CID 126944296

IUPAC6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOc1c2ccc(C(=O)N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2nn1C
InChIInChI=1S/C24H31N5O3/c1-24(2,3)20-13-21(30)29(15-25-20)14-16-8-10-28(11-9-16)22(31)17-6-7-18-19(12-17)26-27(4)23(18)32-5/h6-7,12-13,15-16H,8-11,14H2,1-5H3
InChIKeyMJNZVZXEFXGNII-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.99
Rot. Bonds4

About 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944296) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944296
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOc1c2ccc(C(=O)N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2nn1C
InChIInChI=1S/C24H31N5O3/c1-24(2,3)20-13-21(30)29(15-25-20)14-16-8-10-28(11-9-16)22(31)17-6-7-18-19(12-17)26-27(4)23(18)32-5/h6-7,12-13,15-16H,8-11,14H2,1-5H3
InChIKeyMJNZVZXEFXGNII-UHFFFAOYSA-N
XLogP2.99
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940655
3-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]methyl]-6-tert-butylpyrimidin-4-one
CID 126944215
4-cyclopropyl-5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540785
6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944272
5-[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540539
6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944242
(3-methoxy-2-methylindazol-6-yl)-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539997
3-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943369
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
(3-methoxy-2-methylindazol-6-yl)-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857917
(3-methoxy-2-methylindazol-6-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72719017
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944296) is 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is COc1c2ccc(C(=O)N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2nn1C.
What is the InChIKey of 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is MJNZVZXEFXGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-24(2,3)20-13-21(30)29(15-25-20)14-16-8-10-28(11-9-16)22(31)17-6-7-18-19(12-17)26-27(4)23(18)32-5/h6-7,12-13,15-16H,8-11,14H2,1-5H3.
What are the key properties of 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 437.54 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).