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

C26H28N4O — CID 7440837

IUPAC7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1
InChIInChI=1S/C26H28N4O/c1-18-12-19(2)17-29(16-18)26-15-23(20-8-5-4-6-9-20)27-25-14-24(28-30(25)26)21-10-7-11-22(13-21)31-3/h4-11,13-15,18-19H,12,16-17H2,1-3H3/t18-,19-/m1/s1
InChIKeyCSYWTDMTPFYAKF-RTBURBONSA-N
MW412.54 g/mol
LogP5.55
Rot. Bonds4

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

7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 7440837) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID7440837
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1
InChIInChI=1S/C26H28N4O/c1-18-12-19(2)17-29(16-18)26-15-23(20-8-5-4-6-9-20)27-25-14-24(28-30(25)26)21-10-7-11-22(13-21)31-3/h4-11,13-15,18-19H,12,16-17H2,1-3H3/t18-,19-/m1/s1
InChIKeyCSYWTDMTPFYAKF-RTBURBONSA-N
XLogP5.55
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440817
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441053
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441052
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3230076
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441107
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
(2S)-4-[5-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-2-methylmorpholine
CID 163266546
N',N'-diethyl-N-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 3230082

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 7440837) is 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1.
What is the InChIKey of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CSYWTDMTPFYAKF-RTBURBONSA-N. The full InChI is InChI=1S/C26H28N4O/c1-18-12-19(2)17-29(16-18)26-15-23(20-8-5-4-6-9-20)27-25-14-24(28-30(25)26)21-10-7-11-22(13-21)31-3/h4-11,13-15,18-19H,12,16-17H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 412.54 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7440837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).