1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide

C23H25F2N7O — CID 153404050

IUPAC1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cnc(C(=O)NC2CCc3c2n[nH]c3C)c1
InChIInChI=1S/C23H25F2N7O/c1-12-14(3-6-20(27-12)32-8-16-17(9-32)23(16,24)25)7-31-10-19(26-11-31)22(33)28-18-5-4-15-13(2)29-30-21(15)18/h3,6,10-11,16-18H,4-5,7-9H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyRUEPRWKMLWQJDY-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.78
Rot. Bonds5

About 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide

1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide (PubChem CID 153404050) has the molecular formula C23H25F2N7O and a molecular weight of 453.50 g/mol. Its IUPAC name is 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide
PubChem CID153404050
Molecular FormulaC23H25F2N7O
Molecular Weight453.50 g/mol
Exact Mass453.21
IUPAC Name1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cnc(C(=O)NC2CCc3c2n[nH]c3C)c1
InChIInChI=1S/C23H25F2N7O/c1-12-14(3-6-20(27-12)32-8-16-17(9-32)23(16,24)25)7-31-10-19(26-11-31)22(33)28-18-5-4-15-13(2)29-30-21(15)18/h3,6,10-11,16-18H,4-5,7-9H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyRUEPRWKMLWQJDY-UHFFFAOYSA-N
XLogP2.78
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide?
The IUPAC name of 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide (CID 153404050) is 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide?
The canonical SMILES for 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide is Cc1nc(N2CC3C(C2)C3(F)F)ccc1Cn1cnc(C(=O)NC2CCc3c2n[nH]c3C)c1.
What is the InChIKey of 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide?
The InChIKey is RUEPRWKMLWQJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O/c1-12-14(3-6-20(27-12)32-8-16-17(9-32)23(16,24)25)7-31-10-19(26-11-31)22(33)28-18-5-4-15-13(2)29-30-21(15)18/h3,6,10-11,16-18H,4-5,7-9H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide?
1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(6,6-difluoro-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)imidazole-4-carboxamide is sourced from PubChem (CID 153404050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).