2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

C18H25N5O2 — CID 172899976

IUPAC2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H25N5O2/c1-14-12-17(23-16(20-14)2-5-19-23)21-6-3-15(4-7-21)13-18(24)22-8-10-25-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3
InChIKeyXNXAKZRWYQJUHV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172899976) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172899976
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H25N5O2/c1-14-12-17(23-16(20-14)2-5-19-23)21-6-3-15(4-7-21)13-18(24)22-8-10-25-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3
InChIKeyXNXAKZRWYQJUHV-UHFFFAOYSA-N
XLogP1.50
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172899976) is 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)n2nccc2n1.
What is the InChIKey of 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is XNXAKZRWYQJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-12-17(23-16(20-14)2-5-19-23)21-6-3-15(4-7-21)13-18(24)22-8-10-25-11-9-22/h2,5,12,15H,3-4,6-11,13H2,1H3.
What are the key properties of 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172899976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).