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

C19H25N7O3 — CID 122184246

IUPACN-[(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)c2cnccn2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C19H25N7O3/c1-2-4-16-23-10-12(24-16)9-13(25-18(28)14-11-21-6-7-22-14)19(29)26-8-3-5-15(26)17(20)27/h6-7,10-11,13,15H,2-5,8-9H2,1H3,(H2,20,27)(H,23,24)(H,25,28)/t13-,15-/m0/s1
InChIKeyUMCNKHFFWCXFKE-ZFWWWQNUSA-N
MW399.46 g/mol
LogP-0.03
Rot. Bonds8

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

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 122184246) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 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 NameN-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID122184246
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC NameN-[(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)c2cnccn2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIInChI=1S/C19H25N7O3/c1-2-4-16-23-10-12(24-16)9-13(25-18(28)14-11-21-6-7-22-14)19(29)26-8-3-5-15(26)17(20)27/h6-7,10-11,13,15H,2-5,8-9H2,1H3,(H2,20,27)(H,23,24)(H,25,28)/t13-,15-/m0/s1
InChIKeyUMCNKHFFWCXFKE-ZFWWWQNUSA-N
XLogP-0.03
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide (CID 122184246) is 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 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 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)c2cnccn2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1.
What is the InChIKey of 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 UMCNKHFFWCXFKE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-2-4-16-23-10-12(24-16)9-13(25-18(28)14-11-21-6-7-22-14)19(29)26-8-3-5-15(26)17(20)27/h6-7,10-11,13,15H,2-5,8-9H2,1H3,(H2,20,27)(H,23,24)(H,25,28)/t13-,15-/m0/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propyl-1H-imidazol-5-yl)propan-2-yl]pyrazine-2-carboxamide?
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 399.46 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 122184246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).