(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide

C15H22N6O2 — CID 56708387

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]n2ccnc12
InChIInChI=1S/C15H22N6O2/c1-3-19(4-2)15(23)12-7-10(16)9-20(12)14(22)11-8-18-21-6-5-17-13(11)21/h5-6,8,10,12,18H,3-4,7,9,16H2,1-2H3/t10-,12-/m0/s1
InChIKeyDRVTWMIHCDRFAL-JQWIXIFHSA-N
MW318.38 g/mol
LogP0.07
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56708387) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56708387
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]n2ccnc12
InChIInChI=1S/C15H22N6O2/c1-3-19(4-2)15(23)12-7-10(16)9-20(12)14(22)11-8-18-21-6-5-17-13(11)21/h5-6,8,10,12,18H,3-4,7,9,16H2,1-2H3/t10-,12-/m0/s1
InChIKeyDRVTWMIHCDRFAL-JQWIXIFHSA-N
XLogP0.07
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide (CID 56708387) is (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1c[nH]n2ccnc12.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DRVTWMIHCDRFAL-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-19(4-2)15(23)12-7-10(16)9-20(12)14(22)11-8-18-21-6-5-17-13(11)21/h5-6,8,10,12,18H,3-4,7,9,16H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(5H-imidazo[1,2-b]pyrazole-7-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56708387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).