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

C24H26F3N7O — CID 153404003

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)nc1C(F)(F)F
InChIInChI=1S/C24H26F3N7O/c1-12-14(3-6-20(28-12)33-9-15-7-16(15)10-33)8-34-11-19(30-23(34)24(25,26)27)22(35)29-18-5-4-17-13(2)31-32-21(17)18/h3,6,11,15-16,18H,4-5,7-10H2,1-2H3,(H,29,35)(H,31,32)
InChIKeyCXIKQIRGDFVUJR-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.56
Rot. Bonds5

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

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 153404003) has the molecular formula C24H26F3N7O and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID153404003
Molecular FormulaC24H26F3N7O
Molecular Weight485.51 g/mol
Exact Mass485.22
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)nc1C(F)(F)F
InChIInChI=1S/C24H26F3N7O/c1-12-14(3-6-20(28-12)33-9-15-7-16(15)10-33)8-34-11-19(30-23(34)24(25,26)27)22(35)29-18-5-4-17-13(2)31-32-21(17)18/h3,6,11,15-16,18H,4-5,7-10H2,1-2H3,(H,29,35)(H,31,32)
InChIKeyCXIKQIRGDFVUJR-UHFFFAOYSA-N
XLogP3.56
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)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)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide (CID 153404003) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide is Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)NC2CCc3c2n[nH]c3C)nc1C(F)(F)F.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is CXIKQIRGDFVUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O/c1-12-14(3-6-20(28-12)33-9-15-7-16(15)10-33)8-34-11-19(30-23(34)24(25,26)27)22(35)29-18-5-4-17-13(2)31-32-21(17)18/h3,6,11,15-16,18H,4-5,7-10H2,1-2H3,(H,29,35)(H,31,32).
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 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)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-2-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 153404003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).