1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide

C24H25F3N6O — CID 159755762

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cn(Cc4cnc(N5CC6CC6C5)cc4C(F)(F)F)cn3)C2=NC1
InChIInChI=1S/C24H25F3N6O/c1-13-6-29-22-17(13)2-3-19(22)31-23(34)20-11-32(12-30-20)8-16-7-28-21(5-18(16)24(25,26)27)33-9-14-4-15(14)10-33/h5,7,11-12,14-15,19H,2-4,6,8-10H2,1H3,(H,31,34)/t14?,15?,19-/m1/s1
InChIKeyPTMHDBOKFRRNCH-JFIBYHEFSA-N
MW470.50 g/mol
LogP3.46
Rot. Bonds5

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide (PubChem CID 159755762) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide
PubChem CID159755762
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cn(Cc4cnc(N5CC6CC6C5)cc4C(F)(F)F)cn3)C2=NC1
InChIInChI=1S/C24H25F3N6O/c1-13-6-29-22-17(13)2-3-19(22)31-23(34)20-11-32(12-30-20)8-16-7-28-21(5-18(16)24(25,26)27)33-9-14-4-15(14)10-33/h5,7,11-12,14-15,19H,2-4,6,8-10H2,1H3,(H,31,34)/t14?,15?,19-/m1/s1
InChIKeyPTMHDBOKFRRNCH-JFIBYHEFSA-N
XLogP3.46
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide (CID 159755762) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide is CC1=C2CC[C@@H](NC(=O)c3cn(Cc4cnc(N5CC6CC6C5)cc4C(F)(F)F)cn3)C2=NC1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide?
The InChIKey is PTMHDBOKFRRNCH-JFIBYHEFSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-13-6-29-22-17(13)2-3-19(22)31-23(34)20-11-32(12-30-20)8-16-7-28-21(5-18(16)24(25,26)27)33-9-14-4-15(14)10-33/h5,7,11-12,14-15,19H,2-4,6,8-10H2,1H3,(H,31,34)/t14?,15?,19-/m1/s1.
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 159755762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).