2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

C16H17N5O2S — CID 97416502

IUPAC2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H17N5O2S/c1-12-19-15-5-3-8-18-16(15)21(12)13-6-9-20(11-13)24(22,23)14-4-2-7-17-10-14/h2-5,7-8,10,13H,6,9,11H2,1H3/t13-/m1/s1
InChIKeyZCEGPVMRXYFIGG-CYBMUJFWSA-N
MW343.41 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 97416502) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID97416502
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C16H17N5O2S/c1-12-19-15-5-3-8-18-16(15)21(12)13-6-9-20(11-13)24(22,23)14-4-2-7-17-10-14/h2-5,7-8,10,13H,6,9,11H2,1H3/t13-/m1/s1
InChIKeyZCEGPVMRXYFIGG-CYBMUJFWSA-N
XLogP1.77
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
9-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-7H-purin-8-one
CID 95105404
3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 20930283
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
CID 87050950
4-methyl-2-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)pyrimidine
CID 110103731
(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119962668
N-[4-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 53186956
N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95108534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 97416502) is 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cc1nc2cccnc2n1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is ZCEGPVMRXYFIGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-19-15-5-3-8-18-16(15)21(12)13-6-9-20(11-13)24(22,23)14-4-2-7-17-10-14/h2-5,7-8,10,13H,6,9,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 343.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 97416502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).