[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone

C22H23FN4O3 — CID 42095005

IUPAC[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1F
InChIInChI=1S/C22H23FN4O3/c1-13-9-14(2)27-20(24-13)11-18(25-27)22(29)26-8-4-5-16(12-26)21(28)15-6-7-19(30-3)17(23)10-15/h6-7,9-11,16H,4-5,8,12H2,1-3H3/t16-/m1/s1
InChIKeyLPCQBQZRCWZAQM-MRXNPFEDSA-N
MW410.45 g/mol
LogP3.23
Rot. Bonds4

About [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone

[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 42095005) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID42095005
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1F
InChIInChI=1S/C22H23FN4O3/c1-13-9-14(2)27-20(24-13)11-18(25-27)22(29)26-8-4-5-16(12-26)21(28)15-6-7-19(30-3)17(23)10-15/h6-7,9-11,16H,4-5,8,12H2,1-3H3/t16-/m1/s1
InChIKeyLPCQBQZRCWZAQM-MRXNPFEDSA-N
XLogP3.23
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 45174746
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-[(3R)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396616
1-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396619
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 42095005) is [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1F.
What is the InChIKey of [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is LPCQBQZRCWZAQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-13-9-14(2)27-20(24-13)11-18(25-27)22(29)26-8-4-5-16(12-26)21(28)15-6-7-19(30-3)17(23)10-15/h6-7,9-11,16H,4-5,8,12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 410.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 42095005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).