[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone

C18H27N5O2 — CID 95212994

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H](OC)C3)cnn2c1
InChIInChI=1S/C18H27N5O2/c1-4-21(5-2)11-14-9-19-17-16(10-20-23(17)12-14)18(24)22-8-6-7-15(13-22)25-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m0/s1
InChIKeyPQYPGSICGBLJQP-HNNXBMFYSA-N
MW345.45 g/mol
LogP1.82
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone (PubChem CID 95212994) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
PubChem CID95212994
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H](OC)C3)cnn2c1
InChIInChI=1S/C18H27N5O2/c1-4-21(5-2)11-14-9-19-17-16(10-20-23(17)12-14)18(24)22-8-6-7-15(13-22)25-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m0/s1
InChIKeyPQYPGSICGBLJQP-HNNXBMFYSA-N
XLogP1.82
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone (CID 95212994) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H](OC)C3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The InChIKey is PQYPGSICGBLJQP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-4-21(5-2)11-14-9-19-17-16(10-20-23(17)12-14)18(24)22-8-6-7-15(13-22)25-3/h9-10,12,15H,4-8,11,13H2,1-3H3/t15-/m0/s1.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 95212994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).