2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H27N5O2S — CID 150433677

IUPAC2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2[C@H](Cc3nc4ccccn4c3C(N)=O)C[C@@H]3C[C@@H]32)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C27H27N5O2S/c1-14-7-8-17(10-15(14)2)25-23(29-16(3)35-25)27(34)32-19(11-18-12-21(18)32)13-20-24(26(28)33)31-9-5-4-6-22(31)30-20/h4-10,18-19,21H,11-13H2,1-3H3,(H2,28,33)/t18-,19+,21+/m1/s1
InChIKeyHKHNTCXVVMZWFK-DYXWJJEUSA-N
MW485.61 g/mol
LogP4.33
Rot. Bonds5

About 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 150433677) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID150433677
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(C(=O)N2[C@H](Cc3nc4ccccn4c3C(N)=O)C[C@@H]3C[C@@H]32)c(-c2ccc(C)c(C)c2)s1
InChIInChI=1S/C27H27N5O2S/c1-14-7-8-17(10-15(14)2)25-23(29-16(3)35-25)27(34)32-19(11-18-12-21(18)32)13-20-24(26(28)33)31-9-5-4-6-22(31)30-20/h4-10,18-19,21H,11-13H2,1-3H3,(H2,28,33)/t18-,19+,21+/m1/s1
InChIKeyHKHNTCXVVMZWFK-DYXWJJEUSA-N
XLogP4.33
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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US9670204, 137 2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carboxamide
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CID 56597899
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7-cyano-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56601941
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 77105443

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 150433677) is 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(C(=O)N2[C@H](Cc3nc4ccccn4c3C(N)=O)C[C@@H]3C[C@@H]32)c(-c2ccc(C)c(C)c2)s1.
What is the InChIKey of 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HKHNTCXVVMZWFK-DYXWJJEUSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-14-7-8-17(10-15(14)2)25-23(29-16(3)35-25)27(34)32-19(11-18-12-21(18)32)13-20-24(26(28)33)31-9-5-4-6-22(31)30-20/h4-10,18-19,21H,11-13H2,1-3H3,(H2,28,33)/t18-,19+,21+/m1/s1.
What are the key properties of 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3S,5S)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 150433677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).