sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride

C17H19ClN5NaO3S — CID 173170741

IUPACsodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride
SMILESCOc1ccc2[nH]c(S(=O)C(c3ccccn3)N3CCOCC3Cl)nc2n1.[H-].[Na+]
InChIInChI=1S/C17H18ClN5O3S.Na.H/c1-25-14-6-5-11-15(21-14)22-17(20-11)27(24)16(12-4-2-3-7-19-12)23-8-9-26-10-13(23)18;;/h2-7,13,16H,8-10H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyIASJVTACQGXQAH-UHFFFAOYSA-N
MW431.88 g/mol
LogP-0.82
Rot. Bonds5

About sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride

sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride (PubChem CID 173170741) has the molecular formula C17H19ClN5NaO3S and a molecular weight of 431.88 g/mol. Its IUPAC name is sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride.

Molecular Properties

Compound Namesodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride
PubChem CID173170741
Molecular FormulaC17H19ClN5NaO3S
Molecular Weight431.88 g/mol
Exact Mass431.08
IUPAC Namesodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride
SMILESCOc1ccc2[nH]c(S(=O)C(c3ccccn3)N3CCOCC3Cl)nc2n1.[H-].[Na+]
InChIInChI=1S/C17H18ClN5O3S.Na.H/c1-25-14-6-5-11-15(21-14)22-17(20-11)27(24)16(12-4-2-3-7-19-12)23-8-9-26-10-13(23)18;;/h2-7,13,16H,8-10H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyIASJVTACQGXQAH-UHFFFAOYSA-N
XLogP-0.82
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
CID 69456723
4-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 11690012
CID 69457343
CID 69457343
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 65484248
2-[3-chloro-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-4-pyridinyl]morpholine
CID 69456727
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
6-methoxy-N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyrimidin-4-amine
CID 95132901
[2-chloro-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-pyridin-2-ylmethanethiol
CID 87543945
1H-benzimidazol-2-ylsulfinyl(pyridin-2-yl)methanol
CID 90177935
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methyloxolan-3-amine
CID 66235780

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride?
The IUPAC name of sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride (CID 173170741) is sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride.
What is the SMILES notation for sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride?
The canonical SMILES for sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride is COc1ccc2[nH]c(S(=O)C(c3ccccn3)N3CCOCC3Cl)nc2n1.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride?
The InChIKey is IASJVTACQGXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S.Na.H/c1-25-14-6-5-11-15(21-14)22-17(20-11)27(24)16(12-4-2-3-7-19-12)23-8-9-26-10-13(23)18;;/h2-7,13,16H,8-10H2,1H3,(H,20,21,22);;/q;+1;-1.
What are the key properties of sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride?
sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride has a molecular weight of 431.88 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl-pyridin-2-ylmethyl]morpholine;hydride is sourced from PubChem (CID 173170741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).