3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine

C12H16N4S — CID 66443673

IUPAC3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCc1ccnc2nc(CC3CSCCN3)[nH]c12
InChIInChI=1S/C12H16N4S/c1-8-2-3-14-12-11(8)15-10(16-12)6-9-7-17-5-4-13-9/h2-3,9,13H,4-7H2,1H3,(H,14,15,16)
InChIKeyNXMUKVJNHLBEAB-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.51
Rot. Bonds2

About 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine

3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (PubChem CID 66443673) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
PubChem CID66443673
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
SMILESCc1ccnc2nc(CC3CSCCN3)[nH]c12
InChIInChI=1S/C12H16N4S/c1-8-2-3-14-12-11(8)15-10(16-12)6-9-7-17-5-4-13-9/h2-3,9,13H,4-7H2,1H3,(H,14,15,16)
InChIKeyNXMUKVJNHLBEAB-UHFFFAOYSA-N
XLogP1.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 79816406
N-methyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
CID 63724851
2-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 55230388
3-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]thiomorpholine
CID 66445237
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
CID 63722820
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 63950960
4-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 63724669
2-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741042
3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine
CID 66445041

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine (CID 66443673) is 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine is Cc1ccnc2nc(CC3CSCCN3)[nH]c12.
What is the InChIKey of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
The InChIKey is NXMUKVJNHLBEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-2-3-14-12-11(8)15-10(16-12)6-9-7-17-5-4-13-9/h2-3,9,13H,4-7H2,1H3,(H,14,15,16).
What are the key properties of 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine?
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine has a molecular weight of 248.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]thiomorpholine is sourced from PubChem (CID 66443673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).