2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine

C25H26N4O — CID 7440817

IUPAC2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC[C@@H]4C)n3n2)c1
InChIInChI=1S/C25H26N4O/c1-18-9-6-7-14-28(18)25-17-22(19-10-4-3-5-11-19)26-24-16-23(27-29(24)25)20-12-8-13-21(15-20)30-2/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3/t18-/m0/s1
InChIKeyYWTLYIKFQJZBLU-SFHVURJKSA-N
MW398.51 g/mol
LogP5.45
Rot. Bonds4

About 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine

2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 7440817) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID7440817
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC[C@@H]4C)n3n2)c1
InChIInChI=1S/C25H26N4O/c1-18-9-6-7-14-28(18)25-17-22(19-10-4-3-5-11-19)26-24-16-23(27-29(24)25)20-12-8-13-21(15-20)30-2/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3/t18-/m0/s1
InChIKeyYWTLYIKFQJZBLU-SFHVURJKSA-N
XLogP5.45
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3230076
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
7-[(2R)-2-methylpiperidin-1-yl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95060087
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
(3R)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methylmorpholine
CID 163266624
2-[1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
CID 3230012
N',N'-diethyl-N-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 3230082
2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3229995
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93008975
ethyl (3R)-1-[7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93008972

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine (CID 7440817) is 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCCC[C@@H]4C)n3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YWTLYIKFQJZBLU-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-9-6-7-14-28(18)25-17-22(19-10-4-3-5-11-19)26-24-16-23(27-29(24)25)20-12-8-13-21(15-20)30-2/h3-5,8,10-13,15-18H,6-7,9,14H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine?
2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 398.51 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7440817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).