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

C17H18ClN5O3S — CID 69456723

IUPAC4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)C(c3ncccc3Cl)N3CCOCC3)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-13-5-4-12-15(21-13)22-17(20-12)27(24)16(23-7-9-26-10-8-23)14-11(18)3-2-6-19-14/h2-6,16H,7-10H2,1H3,(H,20,21,22)
InChIKeyGRYQLVPCLLNQGH-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.15
Rot. Bonds5

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

4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine (PubChem CID 69456723) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
PubChem CID69456723
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
SMILESCOc1ccc2[nH]c(S(=O)C(c3ncccc3Cl)N3CCOCC3)nc2n1
InChIInChI=1S/C17H18ClN5O3S/c1-25-13-5-4-12-15(21-13)22-17(20-12)27(24)16(23-7-9-26-10-8-23)14-11(18)3-2-6-19-14/h2-6,16H,7-10H2,1H3,(H,20,21,22)
InChIKeyGRYQLVPCLLNQGH-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine (CID 69456723) is 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine is COc1ccc2[nH]c(S(=O)C(c3ncccc3Cl)N3CCOCC3)nc2n1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine?
The InChIKey is GRYQLVPCLLNQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-25-13-5-4-12-15(21-13)22-17(20-12)27(24)16(23-7-9-26-10-8-23)14-11(18)3-2-6-19-14/h2-6,16H,7-10H2,1H3,(H,20,21,22).
What are the key properties of 4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine?
4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine has a molecular weight of 407.88 g/mol, XLogP of 2.15, 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-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine is sourced from PubChem (CID 69456723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).