1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide

C26H29F5N4O2 — CID 169321559

IUPAC1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@H](c1cccc(C(F)F)c1F)N(CC1C2CN(C)CC21)c1cc(=O)n(C2(C(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C26H29F5N4O2/c1-13(14-4-3-5-15(22(14)27)23(28)29)34(11-18-16-9-33(2)10-17(16)18)20-8-21(36)35(12-19(20)24(32)37)26(6-7-26)25(30)31/h3-5,8,12-13,16-18,23,25H,6-7,9-11H2,1-2H3,(H2,32,37)/t13-,16?,17?,18?/m1/s1
InChIKeySRXGNUDBSFJWBE-PFQBFTEQSA-N
MW524.53 g/mol
LogP4.15
Rot. Bonds9

About 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide

1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide (PubChem CID 169321559) has the molecular formula C26H29F5N4O2 and a molecular weight of 524.53 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide
PubChem CID169321559
Molecular FormulaC26H29F5N4O2
Molecular Weight524.53 g/mol
Exact Mass524.22
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide
SMILESC[C@H](c1cccc(C(F)F)c1F)N(CC1C2CN(C)CC21)c1cc(=O)n(C2(C(F)F)CC2)cc1C(N)=O
InChIInChI=1S/C26H29F5N4O2/c1-13(14-4-3-5-15(22(14)27)23(28)29)34(11-18-16-9-33(2)10-17(16)18)20-8-21(36)35(12-19(20)24(32)37)26(6-7-26)25(30)31/h3-5,8,12-13,16-18,23,25H,6-7,9-11H2,1-2H3,(H2,32,37)/t13-,16?,17?,18?/m1/s1
InChIKeySRXGNUDBSFJWBE-PFQBFTEQSA-N
XLogP4.15
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide (CID 169321559) is 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide is C[C@H](c1cccc(C(F)F)c1F)N(CC1C2CN(C)CC21)c1cc(=O)n(C2(C(F)F)CC2)cc1C(N)=O.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide?
The InChIKey is SRXGNUDBSFJWBE-PFQBFTEQSA-N. The full InChI is InChI=1S/C26H29F5N4O2/c1-13(14-4-3-5-15(22(14)27)23(28)29)34(11-18-16-9-33(2)10-17(16)18)20-8-21(36)35(12-19(20)24(32)37)26(6-7-26)25(30)31/h3-5,8,12-13,16-18,23,25H,6-7,9-11H2,1-2H3,(H2,32,37)/t13-,16?,17?,18?/m1/s1.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide?
1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide has a molecular weight of 524.53 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169321559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).