3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide

C21H32N6O2 — CID 110091480

IUPAC3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
SMILESCc1nc2cc(C3CCN(CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C
InChIInChI=1S/C21H32N6O2/c1-13-16(6-7-20(29)24-21(3,4)5)14(2)27-19(23-13)10-17(25-27)15-8-9-26(11-15)12-18(22)28/h10,15H,6-9,11-12H2,1-5H3,(H2,22,28)(H,24,29)
InChIKeyNSTVPBDPIGRGOP-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.47
Rot. Bonds6

About 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide

3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide (PubChem CID 110091480) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
PubChem CID110091480
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
SMILESCc1nc2cc(C3CCN(CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C
InChIInChI=1S/C21H32N6O2/c1-13-16(6-7-20(29)24-21(3,4)5)14(2)27-19(23-13)10-17(25-27)15-8-9-26(11-15)12-18(22)28/h10,15H,6-9,11-12H2,1-5H3,(H2,22,28)(H,24,29)
InChIKeyNSTVPBDPIGRGOP-UHFFFAOYSA-N
XLogP1.47
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide?
The IUPAC name of 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide (CID 110091480) is 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide?
The canonical SMILES for 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide is Cc1nc2cc(C3CCN(CC(N)=O)C3)nn2c(C)c1CCC(=O)NC(C)(C)C.
What is the InChIKey of 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide?
The InChIKey is NSTVPBDPIGRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-13-16(6-7-20(29)24-21(3,4)5)14(2)27-19(23-13)10-17(25-27)15-8-9-26(11-15)12-18(22)28/h10,15H,6-9,11-12H2,1-5H3,(H2,22,28)(H,24,29).
What are the key properties of 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide?
3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide has a molecular weight of 400.53 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2-amino-2-oxoethyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 110091480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).