N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C24H25N5O2S — CID 157192833

IUPACN-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESC=S(=O)(CC)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C24H25N5O2S/c1-4-32(3,31)20-9-10-22-25-13-23(28(22)15-20)29-14-18(12-26-29)21-11-17(6-5-16(21)2)24(30)27-19-7-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,27,30)
InChIKeyRMQAFXULHMFAAO-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 157192833) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID157192833
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESC=S(=O)(CC)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C24H25N5O2S/c1-4-32(3,31)20-9-10-22-25-13-23(28(22)15-20)29-14-18(12-26-29)21-11-17(6-5-16(21)2)24(30)27-19-7-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,27,30)
InChIKeyRMQAFXULHMFAAO-UHFFFAOYSA-N
XLogP3.48
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134328476
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 155015549
3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 134328512
3-[1-(6-cyclohexylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(7-ethoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide;N-cyclopropyl-2-fluoro-5-(1-imidazo[1,2-a]pyridin-3-ylpyrazol-4-yl)-4-methylbenzamide;N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
CID 162139858
N-cyclopropyl-4-methyl-3-[1-[2-(2-oxo-1-pyridinyl)-1,3-thiazol-5-yl]pyrazol-4-yl]benzamide
CID 134328556
N-cyclopropyl-5-[1-[6-[1-[2-(dimethylamino)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 160618013
N-cyclopropyl-5-[1-[7-ethoxy-6-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide;hydrochloride
CID 134328578
N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
CID 134325343
N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
CID 134325342

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 157192833) is N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is C=S(=O)(CC)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is RMQAFXULHMFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-32(3,31)20-9-10-22-25-13-23(28(22)15-20)29-14-18(12-26-29)21-11-17(6-5-16(21)2)24(30)27-19-7-8-19/h5-6,9-15,19H,3-4,7-8H2,1-2H3,(H,27,30).
What are the key properties of N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[6-(ethyl-methylidene-oxo-λ6-sulfanyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 157192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).