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

C17H18ClN5O3S — CID 11690012

IUPAC4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)Cc3nccc(N4CCOCC4)c3Cl)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(21-14)22-17(20-11)27(24)10-12-15(18)13(4-5-19-12)23-6-8-26-9-7-23/h2-5H,6-10H2,1H3,(H,20,21,22)
InChIKeyUYKFXVSIYVRMKL-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.16
Rot. Bonds5

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

4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine (PubChem CID 11690012) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
PubChem CID11690012
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)Cc3nccc(N4CCOCC4)c3Cl)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(21-14)22-17(20-11)27(24)10-12-15(18)13(4-5-19-12)23-6-8-26-9-7-23/h2-5H,6-10H2,1H3,(H,20,21,22)
InChIKeyUYKFXVSIYVRMKL-UHFFFAOYSA-N
XLogP2.16
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[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

CID 69457343
CID 69457343
2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 69456727
4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
CID 69456723
4-[2-(1H-benzimidazol-2-yloxymethylsulfinylmethyl)-3-chloro-4-pyridinyl]morpholine
CID 91226547
4-[2-[[1-(benzenesulfonyl)-5-methoxybenzimidazol-2-yl]sulfinylmethyl]-3-chloro-4-pyridinyl]morpholine
CID 18541247
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine;propane
CID 145109841
sodium;hydride;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173058221
potassium;hydride;5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
CID 173049519
sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride
CID 173170741
sodium;hydride;2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pent-3-ynoxy-1H-imidazo[4,5-b]pyridine
CID 173085268
6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pyrrolidin-1-yl-1H-benzimidazole
CID 18792771
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The IUPAC name of 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine (CID 11690012) is 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The canonical SMILES for 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine is COc1ccc2[nH]c(S(=O)Cc3nccc(N4CCOCC4)c3Cl)nc2n1.
What is the InChIKey of 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
The InChIKey is UYKFXVSIYVRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-25-14-3-2-11-16(21-14)22-17(20-11)27(24)10-12-15(18)13(4-5-19-12)23-6-8-26-9-7-23/h2-5H,6-10H2,1H3,(H,20,21,22).
What are the key properties of 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine?
4-[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 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine is sourced from PubChem (CID 11690012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).