2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine

C17H18ClN5O3S — CID 69456727

IUPAC2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)Cc3nccc(C4CNCCO4)c3Cl)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(22-14)23-17(21-11)27(24)9-12-15(18)10(4-5-20-12)13-8-19-6-7-26-13/h2-5,13,19H,6-9H2,1H3,(H,21,22,23)
InChIKeyXBZASSQPULTUMW-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.98
Rot. Bonds5

About 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine

2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine (PubChem CID 69456727) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine.

Molecular Properties

Compound Name2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
PubChem CID69456727
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)Cc3nccc(C4CNCCO4)c3Cl)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(22-14)23-17(21-11)27(24)9-12-15(18)10(4-5-20-12)13-8-19-6-7-26-13/h2-5,13,19H,6-9H2,1H3,(H,21,22,23)
InChIKeyXBZASSQPULTUMW-UHFFFAOYSA-N
XLogP1.98
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine with MolForge

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Related Compounds

4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 11690012
CID 69457343
CID 69457343
sodium;hydride;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173058221
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;propane
CID 145109841
potassium;hydride;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173049519
sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine
CID 173085268
4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
CID 69456723
2-(4-chloro-2-methyl-1H-indol-5-yl)morpholine
CID 117380167
2-(1-methoxyisoquinolin-7-yl)morpholine
CID 117362678
2-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]-4,5-dihydro-1,3-oxazole;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole
CID 159736007
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79615004

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The IUPAC name of 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine (CID 69456727) is 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine.
What is the SMILES notation for 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The canonical SMILES for 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine is COc1ccc2[nH]c(S(=O)Cc3nccc(C4CNCCO4)c3Cl)nc2n1.
What is the InChIKey of 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The InChIKey is XBZASSQPULTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(22-14)23-17(21-11)27(24)9-12-15(18)10(4-5-20-12)13-8-19-6-7-26-13/h2-5,13,19H,6-9H2,1H3,(H,21,22,23).
What are the key properties of 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine has a molecular weight of 407.88 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine is sourced from PubChem (CID 69456727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).