4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide

C18H18ClN5O — CID 134797351

IUPAC4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ccnc3ccnn23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O/c19-14-3-1-13(2-4-14)18(25)22-15-7-11-23(12-8-15)17-6-9-20-16-5-10-21-24(16)17/h1-6,9-10,15H,7-8,11-12H2,(H,22,25)
InChIKeyGFWHOHWNVXFRCC-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.78
Rot. Bonds3

About 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide

4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide (PubChem CID 134797351) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide
PubChem CID134797351
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ccnc3ccnn23)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN5O/c19-14-3-1-13(2-4-14)18(25)22-15-7-11-23(12-8-15)17-6-9-20-16-5-10-21-24(16)17/h1-6,9-10,15H,7-8,11-12H2,(H,22,25)
InChIKeyGFWHOHWNVXFRCC-UHFFFAOYSA-N
XLogP2.78
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide (CID 134797351) is 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ccnc3ccnn23)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide?
The InChIKey is GFWHOHWNVXFRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-3-1-13(2-4-14)18(25)22-15-7-11-23(12-8-15)17-6-9-20-16-5-10-21-24(16)17/h1-6,9-10,15H,7-8,11-12H2,(H,22,25).
What are the key properties of 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide?
4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide has a molecular weight of 355.83 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 134797351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).