1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one

C19H27N5O2 — CID 127249630

IUPAC1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccnc3c(CN4CCOCC4)c(C)nn23)C1
InChIInChI=1S/C19H27N5O2/c1-3-18(25)23-7-5-15(12-23)17-4-6-20-19-16(14(2)21-24(17)19)13-22-8-10-26-11-9-22/h4,6,15H,3,5,7-13H2,1-2H3
InChIKeySHAFDGFNCYCPRZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.60
Rot. Bonds4

About 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one

1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127249630) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID127249630
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccnc3c(CN4CCOCC4)c(C)nn23)C1
InChIInChI=1S/C19H27N5O2/c1-3-18(25)23-7-5-15(12-23)17-4-6-20-19-16(14(2)21-24(17)19)13-22-8-10-26-11-9-22/h4,6,15H,3,5,7-13H2,1-2H3
InChIKeySHAFDGFNCYCPRZ-UHFFFAOYSA-N
XLogP1.60
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one (CID 127249630) is 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccnc3c(CN4CCOCC4)c(C)nn23)C1.
What is the InChIKey of 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is SHAFDGFNCYCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-18(25)23-7-5-15(12-23)17-4-6-20-19-16(14(2)21-24(17)19)13-22-8-10-26-11-9-22/h4,6,15H,3,5,7-13H2,1-2H3.
What are the key properties of 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one?
1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127249630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).