(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide

C19H25N7O2 — CID 164625412

IUPAC(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
SMILESCN(C)C(=O)N1C[C@@H]2C(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)[C@@H]2C1
InChIInChI=1S/C19H25N7O2/c1-23(2)19(28)26-10-13-14(11-26)15(13)18(27)22-12-3-6-25(9-12)17-16-20-4-7-24(16)8-5-21-17/h4-5,7-8,12-15H,3,6,9-11H2,1-2H3,(H,22,27)/t12-,13-,14+,15?/m0/s1
InChIKeyYVKWOGKMJMDEEE-RDGKXADDSA-N
MW383.46 g/mol
LogP0.28
Rot. Bonds3

About (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide

(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide (PubChem CID 164625412) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide.

Molecular Properties

Compound Name(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
PubChem CID164625412
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
SMILESCN(C)C(=O)N1C[C@@H]2C(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)[C@@H]2C1
InChIInChI=1S/C19H25N7O2/c1-23(2)19(28)26-10-13-14(11-26)15(13)18(27)22-12-3-6-25(9-12)17-16-20-4-7-24(16)8-5-21-17/h4-5,7-8,12-15H,3,6,9-11H2,1-2H3,(H,22,27)/t12-,13-,14+,15?/m0/s1
InChIKeyYVKWOGKMJMDEEE-RDGKXADDSA-N
XLogP0.28
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide?
The IUPAC name of (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide (CID 164625412) is (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide.
What is the SMILES notation for (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide?
The canonical SMILES for (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide is CN(C)C(=O)N1C[C@@H]2C(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)[C@@H]2C1.
What is the InChIKey of (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide?
The InChIKey is YVKWOGKMJMDEEE-RDGKXADDSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-23(2)19(28)26-10-13-14(11-26)15(13)18(27)22-12-3-6-25(9-12)17-16-20-4-7-24(16)8-5-21-17/h4-5,7-8,12-15H,3,6,9-11H2,1-2H3,(H,22,27)/t12-,13-,14+,15?/m0/s1.
What are the key properties of (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide?
(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N,3-N-dimethyl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide is sourced from PubChem (CID 164625412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).