N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide

C22H30N4O2 — CID 46231012

IUPACN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide
SMILESCC(C)Oc1cccc(CN(C(=O)c2cn(C)cn2)C2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C22H30N4O2/c1-15(2)28-20-6-4-5-16(7-20)12-26(22(27)21-13-25(3)14-24-21)19-8-17-10-23-11-18(17)9-19/h4-7,13-15,17-19,23H,8-12H2,1-3H3/t17-,18+,19?
InChIKeyUTNWHVZSHUCJTA-DFNIBXOVSA-N
MW382.51 g/mol
LogP2.85
Rot. Bonds6

About N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide (PubChem CID 46231012) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide
PubChem CID46231012
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide
SMILESCC(C)Oc1cccc(CN(C(=O)c2cn(C)cn2)C2C[C@H]3CNC[C@H]3C2)c1
InChIInChI=1S/C22H30N4O2/c1-15(2)28-20-6-4-5-16(7-20)12-26(22(27)21-13-25(3)14-24-21)19-8-17-10-23-11-18(17)9-19/h4-7,13-15,17-19,23H,8-12H2,1-3H3/t17-,18+,19?
InChIKeyUTNWHVZSHUCJTA-DFNIBXOVSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide (CID 46231012) is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide is CC(C)Oc1cccc(CN(C(=O)c2cn(C)cn2)C2C[C@H]3CNC[C@H]3C2)c1.
What is the InChIKey of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is UTNWHVZSHUCJTA-DFNIBXOVSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)28-20-6-4-5-16(7-20)12-26(22(27)21-13-25(3)14-24-21)19-8-17-10-23-11-18(17)9-19/h4-7,13-15,17-19,23H,8-12H2,1-3H3/t17-,18+,19?.
What are the key properties of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide?
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 46231012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).