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

C21H29N7O2 — CID 164617282

IUPAC(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
SMILESCC(C)N(C)C(=O)N1C[C@@H]2C(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)[C@@H]2C1
InChIInChI=1S/C21H29N7O2/c1-13(2)25(3)21(30)28-11-15-16(12-28)17(15)20(29)24-14-4-7-27(10-14)19-18-22-5-8-26(18)9-6-23-19/h5-6,8-9,13-17H,4,7,10-12H2,1-3H3,(H,24,29)/t14-,15-,16+,17?/m0/s1
InChIKeyZPWZUJJHRJJVEO-PMRDEQMMSA-N
MW411.51 g/mol
LogP1.06
Rot. Bonds4

About (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide (PubChem CID 164617282) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
PubChem CID164617282
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name(1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide
SMILESCC(C)N(C)C(=O)N1C[C@@H]2C(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)[C@@H]2C1
InChIInChI=1S/C21H29N7O2/c1-13(2)25(3)21(30)28-11-15-16(12-28)17(15)20(29)24-14-4-7-27(10-14)19-18-22-5-8-26(18)9-6-23-19/h5-6,8-9,13-17H,4,7,10-12H2,1-3H3,(H,24,29)/t14-,15-,16+,17?/m0/s1
InChIKeyZPWZUJJHRJJVEO-PMRDEQMMSA-N
XLogP1.06
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.06
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-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide (CID 164617282) is (1S,5R)-6-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-3-N-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide is CC(C)N(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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide?
The InChIKey is ZPWZUJJHRJJVEO-PMRDEQMMSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-13(2)25(3)21(30)28-11-15-16(12-28)17(15)20(29)24-14-4-7-27(10-14)19-18-22-5-8-26(18)9-6-23-19/h5-6,8-9,13-17H,4,7,10-12H2,1-3H3,(H,24,29)/t14-,15-,16+,17?/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-methyl-3-N-propan-2-yl-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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.06, 4 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-methyl-3-N-propan-2-yl-3-azabicyclo[3.1.0]hexane-3,6-dicarboxamide is sourced from PubChem (CID 164617282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).