N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C26H25FN6O2S — CID 87229959

IUPACN-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(C)cccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C26H25FN6O2S/c1-13-5-4-8-32-21(14(2)30-23(13)32)24(34)29-11-19-18-10-16(18)12-33(19)25(35)20-22(36-26(28)31-20)15-6-3-7-17(27)9-15/h3-9,16,18-19H,10-12H2,1-2H3,(H2,28,31)(H,29,34)/t16-,18-,19+/m0/s1
InChIKeyCZRAABJBGSQUOU-YTQUADARSA-N
MW504.59 g/mol
LogP3.69
Rot. Bonds5

About N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 87229959) has the molecular formula C26H25FN6O2S and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID87229959
Molecular FormulaC26H25FN6O2S
Molecular Weight504.59 g/mol
Exact Mass504.17
IUPAC NameN-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(C)cccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1
InChIInChI=1S/C26H25FN6O2S/c1-13-5-4-8-32-21(14(2)30-23(13)32)24(34)29-11-19-18-10-16(18)12-33(19)25(35)20-22(36-26(28)31-20)15-6-3-7-17(27)9-15/h3-9,16,18-19H,10-12H2,1-2H3,(H2,28,31)(H,29,34)/t16-,18-,19+/m0/s1
InChIKeyCZRAABJBGSQUOU-YTQUADARSA-N
XLogP3.69
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(3S,3aS,6aR)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154116
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]naphthalene-1-carboxamide
CID 87229961
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 87229692
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25182669
N-[[(3S,3aS,6aR)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154461
N-[[3-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 87456817
N-[[(1R,2S,5S)-3-[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-methoxybenzamide
CID 57489275
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
2-chloro-4-fluoro-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 24815097
N-[[(1R,2S,5S)-3-[2-(3-hydroxypropyl)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 44563904
6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25183281
[2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[2-amino-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 76542730

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 87229959) is N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(C)cccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1nc(N)sc1-c1cccc(F)c1.
What is the InChIKey of N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CZRAABJBGSQUOU-YTQUADARSA-N. The full InChI is InChI=1S/C26H25FN6O2S/c1-13-5-4-8-32-21(14(2)30-23(13)32)24(34)29-11-19-18-10-16(18)12-33(19)25(35)20-22(36-26(28)31-20)15-6-3-7-17(27)9-15/h3-9,16,18-19H,10-12H2,1-2H3,(H2,28,31)(H,29,34)/t16-,18-,19+/m0/s1.
What are the key properties of N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,5R)-3-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 87229959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).