3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole

C18H23N5O3S — CID 95108530

IUPAC3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C18H23N5O3S/c1-4-6-16-20-15-7-5-9-19-18(15)23(16)14-8-10-22(11-14)27(24,25)17-12(2)21-26-13(17)3/h5,7,9,14H,4,6,8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyBKLCVMVNMGKHST-AWEZNQCLSA-N
MW389.48 g/mol
LogP2.62
Rot. Bonds5

About 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 95108530) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID95108530
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
SMILESCCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C18H23N5O3S/c1-4-6-16-20-15-7-5-9-19-18(15)23(16)14-8-10-22(11-14)27(24,25)17-12(2)21-26-13(17)3/h5,7,9,14H,4,6,8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyBKLCVMVNMGKHST-AWEZNQCLSA-N
XLogP2.62
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-4-[(3S)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108581
8-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416492
8-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
CID 97416493
N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95108534
N-[4-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 53186956
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53022535
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286871
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole (CID 95108530) is 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole is CCCc1nc2cccnc2n1[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1.
What is the InChIKey of 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is BKLCVMVNMGKHST-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-4-6-16-20-15-7-5-9-19-18(15)23(16)14-8-10-22(11-14)27(24,25)17-12(2)21-26-13(17)3/h5,7,9,14H,4,6,8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 389.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 95108530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).