3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

C24H30FN5O — CID 20863036

IUPAC3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C24H30FN5O/c1-16-21(10-11-22(31)26-12-15-29-13-4-5-14-29)18(3)30-24(27-16)23(17(2)28-30)19-6-8-20(25)9-7-19/h6-9H,4-5,10-15H2,1-3H3,(H,26,31)
InChIKeyPLIWKSHJASUMHB-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.61
Rot. Bonds7

About 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide

3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 20863036) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID20863036
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C24H30FN5O/c1-16-21(10-11-22(31)26-12-15-29-13-4-5-14-29)18(3)30-24(27-16)23(17(2)28-30)19-6-8-20(25)9-7-19/h6-9H,4-5,10-15H2,1-3H3,(H,26,31)
InChIKeyPLIWKSHJASUMHB-UHFFFAOYSA-N
XLogP3.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 20863036) is 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is PLIWKSHJASUMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-16-21(10-11-22(31)26-12-15-29-13-4-5-14-29)18(3)30-24(27-16)23(17(2)28-30)19-6-8-20(25)9-7-19/h6-9H,4-5,10-15H2,1-3H3,(H,26,31).
What are the key properties of 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 423.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 20863036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).