(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone

C26H27N5O — CID 139400783

IUPAC(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccncc4)cc3)nn12
InChIInChI=1S/C26H27N5O/c1-18-6-4-3-5-15-30(18)26(32)24-16-19(2)31-25(28-24)17-23(29-31)22-9-7-20(8-10-22)21-11-13-27-14-12-21/h7-14,16-18H,3-6,15H2,1-2H3
InChIKeyOALIAKNZHZTMTE-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.17
Rot. Bonds3

About (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone

(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone (PubChem CID 139400783) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
PubChem CID139400783
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
SMILESCc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccncc4)cc3)nn12
InChIInChI=1S/C26H27N5O/c1-18-6-4-3-5-15-30(18)26(32)24-16-19(2)31-25(28-24)17-23(29-31)22-9-7-20(8-10-22)21-11-13-27-14-12-21/h7-14,16-18H,3-6,15H2,1-2H3
InChIKeyOALIAKNZHZTMTE-UHFFFAOYSA-N
XLogP5.17
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 145178705
[7-ethyl-2-(4-pyrimidin-5-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 122663456
[2-[4-(dimethylamino)phenyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 134431048
4-[7-ethyl-5-[(2R)-2-methylpiperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 134431057
[7-ethyl-2-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 134431047
[7-ethyl-2-[2-fluoro-4-(1H-pyrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 122663357
ethyl 2-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-1,3-thiazole-5-carboxylate
CID 134430931
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131894570
5-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]pyridine-2-carboxylic acid
CID 139400782
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
N-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]cyclopropanecarboxamide
CID 122663455
6-[4-[7-ethyl-5-[(2R)-2-methylazepane-1-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]-4-fluoropyridine-3-carboxylic acid
CID 134431094

Frequently Asked Questions

What is the IUPAC name of (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone?
The IUPAC name of (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone (CID 139400783) is (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone?
The canonical SMILES for (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone is Cc1cc(C(=O)N2CCCCCC2C)nc2cc(-c3ccc(-c4ccncc4)cc3)nn12.
What is the InChIKey of (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone?
The InChIKey is OALIAKNZHZTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-6-4-3-5-15-30(18)26(32)24-16-19(2)31-25(28-24)17-23(29-31)22-9-7-20(8-10-22)21-11-13-27-14-12-21/h7-14,16-18H,3-6,15H2,1-2H3.
What are the key properties of (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone?
(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone has a molecular weight of 425.54 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone is sourced from PubChem (CID 139400783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).