N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C27H28N4O3S — CID 32622076

IUPACN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccn2c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H28N4O3S/c1-20-8-7-19-31-26(20)29-25(22-9-3-2-4-10-22)27(31)28-24(32)16-13-21-11-14-23(15-12-21)35(33,34)30-17-5-6-18-30/h2-4,7-12,14-15,19H,5-6,13,16-18H2,1H3,(H,28,32)
InChIKeyUQYCMQVUWILTKJ-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.67
Rot. Bonds7

About N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 32622076) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID32622076
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccn2c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H28N4O3S/c1-20-8-7-19-31-26(20)29-25(22-9-3-2-4-10-22)27(31)28-24(32)16-13-21-11-14-23(15-12-21)35(33,34)30-17-5-6-18-30/h2-4,7-12,14-15,19H,5-6,13,16-18H2,1H3,(H,28,32)
InChIKeyUQYCMQVUWILTKJ-UHFFFAOYSA-N
XLogP4.67
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 92738385
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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 32622076) is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is Cc1cccn2c(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(-c3ccccc3)nc12.
What is the InChIKey of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is UQYCMQVUWILTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-20-8-7-19-31-26(20)29-25(22-9-3-2-4-10-22)27(31)28-24(32)16-13-21-11-14-23(15-12-21)35(33,34)30-17-5-6-18-30/h2-4,7-12,14-15,19H,5-6,13,16-18H2,1H3,(H,28,32).
What are the key properties of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 32622076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).