N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H21ClFN5O2S — CID 67081126

IUPACN-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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](CNC(=O)c3cnc4ccccn34)C[C@@H]3C[C@@H]32)c(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C25H21ClFN5O2S/c1-13-30-22(23(35-13)21-16(26)5-4-6-17(21)27)25(34)32-15(9-14-10-18(14)32)11-29-24(33)19-12-28-20-7-2-3-8-31(19)20/h2-8,12,14-15,18H,9-11H2,1H3,(H,29,33)/t14-,15+,18+/m1/s1
InChIKeyAYOQAGHTJRMHGW-VKJFTORMSA-N
MW509.99 g/mol
LogP4.59
Rot. Bonds5

About N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 67081126) has the molecular formula C25H21ClFN5O2S and a molecular weight of 509.99 g/mol. Its IUPAC name is N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 NameN-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67081126
Molecular FormulaC25H21ClFN5O2S
Molecular Weight509.99 g/mol
Exact Mass509.11
IUPAC NameN-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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](CNC(=O)c3cnc4ccccn34)C[C@@H]3C[C@@H]32)c(-c2c(F)cccc2Cl)s1
InChIInChI=1S/C25H21ClFN5O2S/c1-13-30-22(23(35-13)21-16(26)5-4-6-17(21)27)25(34)32-15(9-14-10-18(14)32)11-29-24(33)19-12-28-20-7-2-3-8-31(19)20/h2-8,12,14-15,18H,9-11H2,1H3,(H,29,33)/t14-,15+,18+/m1/s1
InChIKeyAYOQAGHTJRMHGW-VKJFTORMSA-N
XLogP4.59
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67081126) is N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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](CNC(=O)c3cnc4ccccn34)C[C@@H]3C[C@@H]32)c(-c2c(F)cccc2Cl)s1.
What is the InChIKey of N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 AYOQAGHTJRMHGW-VKJFTORMSA-N. The full InChI is InChI=1S/C25H21ClFN5O2S/c1-13-30-22(23(35-13)21-16(26)5-4-6-17(21)27)25(34)32-15(9-14-10-18(14)32)11-29-24(33)19-12-28-20-7-2-3-8-31(19)20/h2-8,12,14-15,18H,9-11H2,1H3,(H,29,33)/t14-,15+,18+/m1/s1.
What are the key properties of N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 509.99 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3S,5S)-2-[5-(2-chloro-6-fluorophenyl)-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 67081126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).