[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C24H23N5O2 — CID 135300368

IUPAC[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccncc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-7-5-17(6-8-19)20-15-22(18-9-11-25-12-10-18)29-23(26-20)16-21(27-29)24(30)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3
InChIKeyMSGKJIPBIKTBLC-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.09
Rot. Bonds4

About [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 135300368) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID135300368
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccncc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-31-19-7-5-17(6-8-19)20-15-22(18-9-11-25-12-10-18)29-23(26-20)16-21(27-29)24(30)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3
InChIKeyMSGKJIPBIKTBLC-UHFFFAOYSA-N
XLogP4.09
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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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
Ibrutinib, (S)-
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N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
(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-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
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
Ibrutinib Racemate
CID 16126651
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 [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 135300368) is [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(-c3ccncc3)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is MSGKJIPBIKTBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-19-7-5-17(6-8-19)20-15-22(18-9-11-25-12-10-18)29-23(26-20)16-21(27-29)24(30)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 413.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135300368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).