2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

C18H19N5O2 — CID 136799315

IUPAC2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-12-20-15(9-17(24)21-12)13-5-4-7-22(11-13)18(25)14-10-19-23-8-3-2-6-16(14)23/h2-3,6,8-10,13H,4-5,7,11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKeyDUKCJNUQUBHXNZ-ZDUSSCGKSA-N
MW337.38 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136799315) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136799315
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)cc(=O)[nH]1
InChIInChI=1S/C18H19N5O2/c1-12-20-15(9-17(24)21-12)13-5-4-7-22(11-13)18(25)14-10-19-23-8-3-2-6-16(14)23/h2-3,6,8-10,13H,4-5,7,11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKeyDUKCJNUQUBHXNZ-ZDUSSCGKSA-N
XLogP1.75
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2-methyl-4-[(3R)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135858414
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
2-methyl-4-[1-(4-phenylmethoxybutanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136665025
[3-(methylamino)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone;hydrochloride
CID 119413658
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
2-methyl-4-[(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136799295
2-methyl-4-[(3S)-1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696802
N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474
4-[(3S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136722535
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136799315) is 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is DUKCJNUQUBHXNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-20-15(9-17(24)21-12)13-5-4-7-22(11-13)18(25)14-10-19-23-8-3-2-6-16(14)23/h2-3,6,8-10,13H,4-5,7,11H2,1H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 337.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136799315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).