(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide

C15H21N7O2 — CID 128889278

IUPAC(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)NC2CC(C)n3ccnc32)C1
InChIInChI=1S/C15H21N7O2/c1-9-5-11(14-16-3-4-21(9)14)19-15(23)22-7-10(24-2)6-12(22)13-17-8-18-20-13/h3-4,8-12H,5-7H2,1-2H3,(H,19,23)(H,17,18,20)/t9?,10-,11?,12+/m1/s1
InChIKeyMNYZZJRGBGILSV-RSJDFQLWSA-N
MW331.38 g/mol
LogP1.18
Rot. Bonds3

About (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide

(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 128889278) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID128889278
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)NC2CC(C)n3ccnc32)C1
InChIInChI=1S/C15H21N7O2/c1-9-5-11(14-16-3-4-21(9)14)19-15(23)22-7-10(24-2)6-12(22)13-17-8-18-20-13/h3-4,8-12H,5-7H2,1-2H3,(H,19,23)(H,17,18,20)/t9?,10-,11?,12+/m1/s1
InChIKeyMNYZZJRGBGILSV-RSJDFQLWSA-N
XLogP1.18
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide (CID 128889278) is (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide is CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)NC2CC(C)n3ccnc32)C1.
What is the InChIKey of (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is MNYZZJRGBGILSV-RSJDFQLWSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9-5-11(14-16-3-4-21(9)14)19-15(23)22-7-10(24-2)6-12(22)13-17-8-18-20-13/h3-4,8-12H,5-7H2,1-2H3,(H,19,23)(H,17,18,20)/t9?,10-,11?,12+/m1/s1.
What are the key properties of (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide?
(2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128889278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).