[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C18H25N5O2 — CID 46981579

IUPAC[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H25N5O2/c24-18(16-14-20-23-6-1-5-19-17(16)23)22-8-3-15(4-9-22)2-7-21-10-12-25-13-11-21/h1,5-6,14-15H,2-4,7-13H2
InChIKeyBGMWZDTYKPQOBX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.30
Rot. Bonds4

About [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 46981579) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID46981579
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C18H25N5O2/c24-18(16-14-20-23-6-1-5-19-17(16)23)22-8-3-15(4-9-22)2-7-21-10-12-25-13-11-21/h1,5-6,14-15H,2-4,7-13H2
InChIKeyBGMWZDTYKPQOBX-UHFFFAOYSA-N
XLogP1.30
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 46981579) is [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is O=C(c1cnn2cccnc12)N1CCC(CCN2CCOCC2)CC1.
What is the InChIKey of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is BGMWZDTYKPQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(16-14-20-23-6-1-5-19-17(16)23)22-8-3-15(4-9-22)2-7-21-10-12-25-13-11-21/h1,5-6,14-15H,2-4,7-13H2.
What are the key properties of [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 343.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 46981579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).