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

C18H19N5O — CID 53175368

IUPAC(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C18H19N5O/c1-13-11-16(18(24)22-9-5-2-6-10-22)20-17-12-15(21-23(13)17)14-7-3-4-8-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyCYALXVDUKKELKC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.73
Rot. Bonds2

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

(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 53175368) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID53175368
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C18H19N5O/c1-13-11-16(18(24)22-9-5-2-6-10-22)20-17-12-15(21-23(13)17)14-7-3-4-8-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyCYALXVDUKKELKC-UHFFFAOYSA-N
XLogP2.73
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (CID 53175368) is (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is CYALXVDUKKELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-11-16(18(24)22-9-5-2-6-10-22)20-17-12-15(21-23(13)17)14-7-3-4-8-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53175368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).