(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

C19H28N6O2 — CID 56716525

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C19H28N6O2/c1-6-23(7-2)18(26)15-9-14(20)10-24(15)19(27)16-13(5)22-25-12(4)8-11(3)21-17(16)25/h8,14-15H,6-7,9-10,20H2,1-5H3/t14-,15+/m1/s1
InChIKeyKWSJIDVKYXNKCO-CABCVRRESA-N
MW372.47 g/mol
LogP1.06
Rot. Bonds4

About (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56716525) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56716525
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)nn2c(C)cc(C)nc12
InChIInChI=1S/C19H28N6O2/c1-6-23(7-2)18(26)15-9-14(20)10-24(15)19(27)16-13(5)22-25-12(4)8-11(3)21-17(16)25/h8,14-15H,6-7,9-10,20H2,1-5H3/t14-,15+/m1/s1
InChIKeyKWSJIDVKYXNKCO-CABCVRRESA-N
XLogP1.06
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide (CID 56716525) is (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1c(C)nn2c(C)cc(C)nc12.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is KWSJIDVKYXNKCO-CABCVRRESA-N. The full InChI is InChI=1S/C19H28N6O2/c1-6-23(7-2)18(26)15-9-14(20)10-24(15)19(27)16-13(5)22-25-12(4)8-11(3)21-17(16)25/h8,14-15H,6-7,9-10,20H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56716525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).