[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C24H22FN5O2 — CID 135300382

IUPAC[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H22FN5O2/c1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyMBEXHDUQSRKREM-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.23
Rot. Bonds4

About [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300382) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300382
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H22FN5O2/c1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3
InChIKeyMBEXHDUQSRKREM-UHFFFAOYSA-N
XLogP4.23
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 24895172
1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
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Ibrutinib, (S)-
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4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
CID 73441661
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
2-(2-(4-(3-fluoropropoxy)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
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Frequently Asked Questions

What is the IUPAC name of [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300382) is [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3ccc(F)nc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MBEXHDUQSRKREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-32-18-8-5-16(6-9-18)19-13-21(17-7-10-22(25)26-15-17)30-23(27-19)14-20(28-30)24(31)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3.
What are the key properties of [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 431.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(6-fluoro-3-pyridinyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).