N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

C17H26N6O4S — CID 171155762

IUPACN-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N[C@H]1C[C@H]2CN(Cc3ncc[nH]3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1
InChIInChI=1S/C17H26N6O4S/c1-28(26,27)21-12-6-13-9-22(10-15-18-4-5-19-15)14(17(25)23(13)8-12)7-20-16(24)11-2-3-11/h4-5,11-14,21H,2-3,6-10H2,1H3,(H,18,19)(H,20,24)/t12-,13-,14-/m0/s1
InChIKeyUGEJTFGMRFZODX-IHRRRGAJSA-N
MW410.50 g/mol
LogP-1.36
Rot. Bonds7

About N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 171155762) has the molecular formula C17H26N6O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID171155762
Molecular FormulaC17H26N6O4S
Molecular Weight410.50 g/mol
Exact Mass410.17
IUPAC NameN-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)N[C@H]1C[C@H]2CN(Cc3ncc[nH]3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1
InChIInChI=1S/C17H26N6O4S/c1-28(26,27)21-12-6-13-9-22(10-15-18-4-5-19-15)14(17(25)23(13)8-12)7-20-16(24)11-2-3-11/h4-5,11-14,21H,2-3,6-10H2,1H3,(H,18,19)(H,20,24)/t12-,13-,14-/m0/s1
InChIKeyUGEJTFGMRFZODX-IHRRRGAJSA-N
XLogP-1.36
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

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4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
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1-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrolidine-2-carboxamide
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2-[methyl(methylsulfonyl)amino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 53622014
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
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N-(1H-imidazol-2-ylmethyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 63931259
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
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CID 63939289
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
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N-(1H-imidazol-2-ylmethyl)-2-(methanesulfonamido)-N,4-dimethylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (CID 171155762) is N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is CS(=O)(=O)N[C@H]1C[C@H]2CN(Cc3ncc[nH]3)[C@@H](CNC(=O)C3CC3)C(=O)N2C1.
What is the InChIKey of N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is UGEJTFGMRFZODX-IHRRRGAJSA-N. The full InChI is InChI=1S/C17H26N6O4S/c1-28(26,27)21-12-6-13-9-22(10-15-18-4-5-19-15)14(17(25)23(13)8-12)7-20-16(24)11-2-3-11/h4-5,11-14,21H,2-3,6-10H2,1H3,(H,18,19)(H,20,24)/t12-,13-,14-/m0/s1.
What are the key properties of N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 410.50 g/mol, XLogP of -1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,7S,8aS)-2-(1H-imidazol-2-ylmethyl)-7-(methanesulfonamido)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171155762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).