(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone

C21H19N5O — CID 110118432

IUPAC(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC1c1ccn2nccc2n1
InChIInChI=1S/C21H19N5O/c27-21(18-9-8-15-5-1-2-6-16(15)23-18)25-13-4-3-7-19(25)17-11-14-26-20(24-17)10-12-22-26/h1-2,5-6,8-12,14,19H,3-4,7,13H2
InChIKeyCBGFWXSPZUOZJW-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.64
Rot. Bonds2

About (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone

(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone (PubChem CID 110118432) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
PubChem CID110118432
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC1c1ccn2nccc2n1
InChIInChI=1S/C21H19N5O/c27-21(18-9-8-15-5-1-2-6-16(15)23-18)25-13-4-3-7-19(25)17-11-14-26-20(24-17)10-12-22-26/h1-2,5-6,8-12,14,19H,3-4,7,13H2
InChIKeyCBGFWXSPZUOZJW-UHFFFAOYSA-N
XLogP3.64
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110711
[2-(2-phenylpyrimidin-4-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110253714
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125003566
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 125001075

Frequently Asked Questions

What is the IUPAC name of (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone (CID 110118432) is (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCCC1c1ccn2nccc2n1.
What is the InChIKey of (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone?
The InChIKey is CBGFWXSPZUOZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(18-9-8-15-5-1-2-6-16(15)23-18)25-13-4-3-7-19(25)17-11-14-26-20(24-17)10-12-22-26/h1-2,5-6,8-12,14,19H,3-4,7,13H2.
What are the key properties of (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone?
(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone has a molecular weight of 357.42 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 110118432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).