2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

C12H16N4 — CID 53017611

IUPAC2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1[C@H]1CCN(C)C1
InChIInChI=1S/C12H16N4/c1-9-14-11-4-3-6-13-12(11)16(9)10-5-7-15(2)8-10/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyLQBPITQQCULERP-JTQLQIEISA-N
MW216.29 g/mol
LogP1.62
Rot. Bonds1

About 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine

2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 53017611) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID53017611
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESCc1nc2cccnc2n1[C@H]1CCN(C)C1
InChIInChI=1S/C12H16N4/c1-9-14-11-4-3-6-13-12(11)16(9)10-5-7-15(2)8-10/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyLQBPITQQCULERP-JTQLQIEISA-N
XLogP1.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-ethyl-1-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 53186816
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186925
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272
ethyl 2-[[(3R)-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 95108474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 53017611) is 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is Cc1nc2cccnc2n1[C@H]1CCN(C)C1.
What is the InChIKey of 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is LQBPITQQCULERP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-11-4-3-6-13-12(11)16(9)10-5-7-15(2)8-10/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine?
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 53017611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).