piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C18H22F3N5O — CID 135300269

IUPACpiperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(N3CCCCC3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)14-12-15(24-7-3-1-4-8-24)22-16-11-13(23-26(14)16)17(27)25-9-5-2-6-10-25/h11-12H,1-10H2
InChIKeyHNIOEXUVHDRNRO-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.36
Rot. Bonds2

About piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 135300269) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID135300269
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Namepiperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nc(N3CCCCC3)cc(C(F)(F)F)n2n1)N1CCCCC1
InChIInChI=1S/C18H22F3N5O/c19-18(20,21)14-12-15(24-7-3-1-4-8-24)22-16-11-13(23-26(14)16)17(27)25-9-5-2-6-10-25/h11-12H,1-10H2
InChIKeyHNIOEXUVHDRNRO-UHFFFAOYSA-N
XLogP3.36
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 135300269) is piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nc(N3CCCCC3)cc(C(F)(F)F)n2n1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is HNIOEXUVHDRNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c19-18(20,21)14-12-15(24-7-3-1-4-8-24)22-16-11-13(23-26(14)16)17(27)25-9-5-2-6-10-25/h11-12H,1-10H2.
What are the key properties of piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 381.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 135300269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).