4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C19H22ClN5O — CID 136762318

IUPAC4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)cc(=O)[nH]1
InChIInChI=1S/C19H22ClN5O/c1-12-21-15(9-18(26)22-12)13-5-4-8-25(10-13)11-16-19-14(20)6-3-7-17(19)24(2)23-16/h3,6-7,9,13H,4-5,8,10-11H2,1-2H3,(H,21,22,26)/t13-/m1/s1
InChIKeyLZGUODDTPJCCGF-CYBMUJFWSA-N
MW371.87 g/mol
LogP3.00
Rot. Bonds3

About 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136762318) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136762318
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)cc(=O)[nH]1
InChIInChI=1S/C19H22ClN5O/c1-12-21-15(9-18(26)22-12)13-5-4-8-25(10-13)11-16-19-14(20)6-3-7-17(19)24(2)23-16/h3,6-7,9,13H,4-5,8,10-11H2,1-2H3,(H,21,22,26)/t13-/m1/s1
InChIKeyLZGUODDTPJCCGF-CYBMUJFWSA-N
XLogP3.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
4-[(3R)-1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706500
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136762318) is 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LZGUODDTPJCCGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-12-21-15(9-18(26)22-12)13-5-4-8-25(10-13)11-16-19-14(20)6-3-7-17(19)24(2)23-16/h3,6-7,9,13H,4-5,8,10-11H2,1-2H3,(H,21,22,26)/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 371.87 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136762318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).