1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide

C20H31N7O2 — CID 171387066

IUPAC1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2nccn2C)N1C
InChIInChI=1S/C20H31N7O2/c1-24(9-7-15-12-23-26(3)14-15)18(28)11-16-5-6-17(27(16)4)13-22-20(29)19-21-8-10-25(19)2/h8,10,12,14,16-17H,5-7,9,11,13H2,1-4H3,(H,22,29)/t16-,17+/m1/s1
InChIKeyXVFHXBZUVPDNEI-SJORKVTESA-N
MW401.52 g/mol
LogP0.44
Rot. Bonds8

About 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide

1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide (PubChem CID 171387066) has the molecular formula C20H31N7O2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide
PubChem CID171387066
Molecular FormulaC20H31N7O2
Molecular Weight401.52 g/mol
Exact Mass401.25
IUPAC Name1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide
SMILESCN(CCc1cnn(C)c1)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2nccn2C)N1C
InChIInChI=1S/C20H31N7O2/c1-24(9-7-15-12-23-26(3)14-15)18(28)11-16-5-6-17(27(16)4)13-22-20(29)19-21-8-10-25(19)2/h8,10,12,14,16-17H,5-7,9,11,13H2,1-4H3,(H,22,29)/t16-,17+/m1/s1
InChIKeyXVFHXBZUVPDNEI-SJORKVTESA-N
XLogP0.44
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide with MolForge

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Related Compounds

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1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
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N-cyclopentyl-1-methylimidazole-2-carboxamide
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1-methyl-N-propylimidazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide (CID 171387066) is 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide is CN(CCc1cnn(C)c1)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2nccn2C)N1C.
What is the InChIKey of 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide?
The InChIKey is XVFHXBZUVPDNEI-SJORKVTESA-N. The full InChI is InChI=1S/C20H31N7O2/c1-24(9-7-15-12-23-26(3)14-15)18(28)11-16-5-6-17(27(16)4)13-22-20(29)19-21-8-10-25(19)2/h8,10,12,14,16-17H,5-7,9,11,13H2,1-4H3,(H,22,29)/t16-,17+/m1/s1.
What are the key properties of 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide?
1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide has a molecular weight of 401.52 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S,5R)-1-methyl-5-[2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 171387066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).