[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C21H32N6O — CID 56712099

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC(N4CCCC4)CC3)cnn2c1
InChIInChI=1S/C21H32N6O/c1-3-24(4-2)15-17-13-22-20-19(14-23-27(20)16-17)21(28)26-11-7-18(8-12-26)25-9-5-6-10-25/h13-14,16,18H,3-12,15H2,1-2H3
InChIKeyLHPRQOGIAQGTFY-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.27
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56712099) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56712099
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCC(N4CCCC4)CC3)cnn2c1
InChIInChI=1S/C21H32N6O/c1-3-24(4-2)15-17-13-22-20-19(14-23-27(20)16-17)21(28)26-11-7-18(8-12-26)25-9-5-6-10-25/h13-14,16,18H,3-12,15H2,1-2H3
InChIKeyLHPRQOGIAQGTFY-UHFFFAOYSA-N
XLogP2.27
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.27
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]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56712099) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCC(N4CCCC4)CC3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is LHPRQOGIAQGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-24(4-2)15-17-13-22-20-19(14-23-27(20)16-17)21(28)26-11-7-18(8-12-26)25-9-5-6-10-25/h13-14,16,18H,3-12,15H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 384.53 g/mol, XLogP of 2.27, 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]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56712099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).