N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

C21H20N4O2 — CID 97410940

IUPACN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C21H20N4O2/c1-13(26)25-10-16-14-6-2-3-7-15(14)20(17(16)11-25)23-21(27)18-12-24-9-5-4-8-19(24)22-18/h2-9,12,16-17,20H,10-11H2,1H3,(H,23,27)/t16-,17-,20-/m0/s1
InChIKeyGEIZHNJULUPXOZ-ZWOKBUDYSA-N
MW360.42 g/mol
LogP2.38
Rot. Bonds2

About N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 97410940) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID97410940
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C21H20N4O2/c1-13(26)25-10-16-14-6-2-3-7-15(14)20(17(16)11-25)23-21(27)18-12-24-9-5-4-8-19(24)22-18/h2-9,12,16-17,20H,10-11H2,1H3,(H,23,27)/t16-,17-,20-/m0/s1
InChIKeyGEIZHNJULUPXOZ-ZWOKBUDYSA-N
XLogP2.38
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-3-aminopyrazine-2-carboxamide
CID 97448963
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CID 97448947
N-[(3aR,4S,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-4-imidazol-1-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 97410940) is N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is CC(=O)N1C[C@H]2[C@@H](C1)c1ccccc1[C@@H]2NC(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GEIZHNJULUPXOZ-ZWOKBUDYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13(26)25-10-16-14-6-2-3-7-15(14)20(17(16)11-25)23-21(27)18-12-24-9-5-4-8-19(24)22-18/h2-9,12,16-17,20H,10-11H2,1H3,(H,23,27)/t16-,17-,20-/m0/s1.
What are the key properties of N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4R,8bR)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 97410940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).