N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide

C24H22N4O3S — CID 45268465

IUPACN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(S(C)(=O)=O)cn4)cc3)cn12
InChIInChI=1S/C24H22N4O3S/c1-15-23(17-5-6-17)27-22-12-9-19(14-28(15)22)26-24(29)18-7-3-16(4-8-18)21-11-10-20(13-25-21)32(2,30)31/h3-4,7-14,17H,5-6H2,1-2H3,(H,26,29)
InChIKeyLZGABMVNKCHJEA-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.24
Rot. Bonds5

About N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide

N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide (PubChem CID 45268465) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide
PubChem CID45268465
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide
SMILESCc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(S(C)(=O)=O)cn4)cc3)cn12
InChIInChI=1S/C24H22N4O3S/c1-15-23(17-5-6-17)27-22-12-9-19(14-28(15)22)26-24(29)18-7-3-16(4-8-18)21-11-10-20(13-25-21)32(2,30)31/h3-4,7-14,17H,5-6H2,1-2H3,(H,26,29)
InChIKeyLZGABMVNKCHJEA-UHFFFAOYSA-N
XLogP4.24
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide?
The IUPAC name of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide (CID 45268465) is N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide is Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(S(C)(=O)=O)cn4)cc3)cn12.
What is the InChIKey of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide?
The InChIKey is LZGABMVNKCHJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-15-23(17-5-6-17)27-22-12-9-19(14-28(15)22)26-24(29)18-7-3-16(4-8-18)21-11-10-20(13-25-21)32(2,30)31/h3-4,7-14,17H,5-6H2,1-2H3,(H,26,29).
What are the key properties of N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide?
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methylsulfonyl-2-pyridinyl)benzamide is sourced from PubChem (CID 45268465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).