(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C18H25N5O2 — CID 71872080

IUPAC(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCC1CN(C(=O)c2cnn3ccc(C)nc23)CC1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-3-14-11-22(12-16(14)21-6-8-25-9-7-21)18(24)15-10-19-23-5-4-13(2)20-17(15)23/h4-5,10,14,16H,3,6-9,11-12H2,1-2H3
InChIKeyMPORXLGBJBPNDF-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.22
Rot. Bonds3

About (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 71872080) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID71872080
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCC1CN(C(=O)c2cnn3ccc(C)nc23)CC1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-3-14-11-22(12-16(14)21-6-8-25-9-7-21)18(24)15-10-19-23-5-4-13(2)20-17(15)23/h4-5,10,14,16H,3,6-9,11-12H2,1-2H3
InChIKeyMPORXLGBJBPNDF-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 71872080) is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CCC1CN(C(=O)c2cnn3ccc(C)nc23)CC1N1CCOCC1.
What is the InChIKey of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is MPORXLGBJBPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-14-11-22(12-16(14)21-6-8-25-9-7-21)18(24)15-10-19-23-5-4-13(2)20-17(15)23/h4-5,10,14,16H,3,6-9,11-12H2,1-2H3.
What are the key properties of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 71872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).