N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C23H26N4O2S — CID 145128203

IUPACN-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccc(CN3CCS(=O)CC3)cc2)n2cc(NC(=O)C3CC3)nc12
InChIInChI=1S/C23H26N4O2S/c1-16-2-9-20(27-15-21(24-22(16)27)25-23(28)19-7-8-19)18-5-3-17(4-6-18)14-26-10-12-30(29)13-11-26/h2-6,9,15,19H,7-8,10-14H2,1H3,(H,25,28)
InChIKeyNCHOMBQLEWKYOE-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.22
Rot. Bonds5

About N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 145128203) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID145128203
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(-c2ccc(CN3CCS(=O)CC3)cc2)n2cc(NC(=O)C3CC3)nc12
InChIInChI=1S/C23H26N4O2S/c1-16-2-9-20(27-15-21(24-22(16)27)25-23(28)19-7-8-19)18-5-3-17(4-6-18)14-26-10-12-30(29)13-11-26/h2-6,9,15,19H,7-8,10-14H2,1H3,(H,25,28)
InChIKeyNCHOMBQLEWKYOE-UHFFFAOYSA-N
XLogP3.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-fluoro-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 145128231
N-[4-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138572264
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-[5-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(4-isocyanopiperidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(piperidin-1-ylmethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 160688071
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
[4-(piperidin-1-ylmethyl)phenyl] 4-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzoate
CID 91180812
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 145128203) is N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1ccc(-c2ccc(CN3CCS(=O)CC3)cc2)n2cc(NC(=O)C3CC3)nc12.
What is the InChIKey of N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is NCHOMBQLEWKYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-2-9-20(27-15-21(24-22(16)27)25-23(28)19-7-8-19)18-5-3-17(4-6-18)14-26-10-12-30(29)13-11-26/h2-6,9,15,19H,7-8,10-14H2,1H3,(H,25,28).
What are the key properties of N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 145128203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).