azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C19H21N5O — CID 53175345

IUPACazepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H21N5O/c1-14-12-17(19(25)23-10-6-2-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyDBXAWZFDXVBJSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.12
Rot. Bonds2

About azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53175345) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53175345
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Nameazepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cc(C(=O)N2CCCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C19H21N5O/c1-14-12-17(19(25)23-10-6-2-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3
InChIKeyDBXAWZFDXVBJSI-UHFFFAOYSA-N
XLogP3.12
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
CID 53040610
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 53040574
N-cyclopentyl-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175354
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
N-butan-2-yl-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175339
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53040756
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849860
(2-methylazepan-1-yl)-[7-methyl-2-(4-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 139400783
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363662
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 74251345

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53175345) is azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cc(C(=O)N2CCCCCC2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is DBXAWZFDXVBJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-12-17(19(25)23-10-6-2-3-7-11-23)21-18-13-16(22-24(14)18)15-8-4-5-9-20-15/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3.
What are the key properties of azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53175345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).