3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide

C19H26N8O3 — CID 122184248

IUPAC3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESCCCc1ncc(C[C@H](NC(=O)c2nccnc2N)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C19H26N8O3/c1-2-4-14-24-10-11(25-14)9-12(19(30)27-8-3-5-13(27)17(21)28)26-18(29)15-16(20)23-7-6-22-15/h6-7,10,12-13H,2-5,8-9H2,1H3,(H2,20,23)(H2,21,28)(H,24,25)(H,26,29)/t12-,13-/m0/s1
InChIKeyIHIPMQCYKZIRFV-STQMWFEESA-N
MW414.47 g/mol
LogP-0.45
Rot. Bonds8

About 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide

3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 122184248) has the molecular formula C19H26N8O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID122184248
Molecular FormulaC19H26N8O3
Molecular Weight414.47 g/mol
Exact Mass414.21
IUPAC Name3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESCCCc1ncc(C[C@H](NC(=O)c2nccnc2N)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C19H26N8O3/c1-2-4-14-24-10-11(25-14)9-12(19(30)27-8-3-5-13(27)17(21)28)26-18(29)15-16(20)23-7-6-22-15/h6-7,10,12-13H,2-5,8-9H2,1H3,(H2,20,23)(H2,21,28)(H,24,25)(H,26,29)/t12-,13-/m0/s1
InChIKeyIHIPMQCYKZIRFV-STQMWFEESA-N
XLogP-0.45
TPSA172.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide (CID 122184248) is 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide is CCCc1ncc(C[C@H](NC(=O)c2nccnc2N)C(=O)N2CCC[C@H]2C(N)=O)[nH]1.
What is the InChIKey of 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is IHIPMQCYKZIRFV-STQMWFEESA-N. The full InChI is InChI=1S/C19H26N8O3/c1-2-4-14-24-10-11(25-14)9-12(19(30)27-8-3-5-13(27)17(21)28)26-18(29)15-16(20)23-7-6-22-15/h6-7,10,12-13H,2-5,8-9H2,1H3,(H2,20,23)(H2,21,28)(H,24,25)(H,26,29)/t12-,13-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of -0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 122184248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).