N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane

C19H26ClIN5O2PS — CID 142334502

IUPACN-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane
SMILESCC.COCc1ccc(Nc2cc(Cl)nc3c2nc(C)n3PI)c(N(C)S(C)=O)c1
InChIInChI=1S/C17H20ClIN5O2PS.C2H6/c1-10-20-16-13(8-15(18)22-17(16)24(10)27-19)21-12-6-5-11(9-26-3)7-14(12)23(2)28(4)25;1-2/h5-8,27H,9H2,1-4H3,(H,21,22);1-2H3
InChIKeyQDTUYBBDJIYCED-UHFFFAOYSA-N
MW581.85 g/mol
LogP5.83
Rot. Bonds7

About N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane

N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane (PubChem CID 142334502) has the molecular formula C19H26ClIN5O2PS and a molecular weight of 581.85 g/mol. Its IUPAC name is N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane.

Molecular Properties

Compound NameN-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane
PubChem CID142334502
Molecular FormulaC19H26ClIN5O2PS
Molecular Weight581.85 g/mol
Exact Mass581.03
IUPAC NameN-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane
SMILESCC.COCc1ccc(Nc2cc(Cl)nc3c2nc(C)n3PI)c(N(C)S(C)=O)c1
InChIInChI=1S/C17H20ClIN5O2PS.C2H6/c1-10-20-16-13(8-15(18)22-17(16)24(10)27-19)21-12-6-5-11(9-26-3)7-14(12)23(2)28(4)25;1-2/h5-8,27H,9H2,1-4H3,(H,21,22);1-2H3
InChIKeyQDTUYBBDJIYCED-UHFFFAOYSA-N
XLogP5.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.85
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfinamide;ethane
CID 142334862
1-N-(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)-4-(1,5-dimethylimidazol-2-yl)-2-N-methyl-2-N-methylsulfanylbenzene-1,2-diamine
CID 142334386
5-chloro-3-iodophosphanyl-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334534
5-chloro-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334197
5-chloro-N-[4-(methoxymethyl)-2-methylsulfanylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455442
cis-(1S,2S)-2-fluoro-N-[3-iodophosphanyl-2-methyl-7-[2-[methyl(methylsulfinyl)amino]-4-(1-methylpyrazol-4-yl)anilino]imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide;ethane
CID 142334593
5-chloro-3-iodophosphanyl-2-methyl-N-[4-(1-methylimidazol-4-yl)-2-methylsulfanylphenyl]imidazo[4,5-b]pyridin-7-amine
CID 142334162
5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfanylphenyl]-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334913
7-N-[4-chloro-2-[methyl(methylsulfanyl)amino]phenyl]-5-N-(5,6-dimethylpyrazin-2-yl)-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridine-5,7-diamine
CID 142334790
N-[5-chloro-2-[(6-chloro-2-methyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-4-yl)amino]phenyl]-N-methylmethanesulfinamide
CID 142329884
2-amino-6-chloro-4-[2-methoxy-4-(methoxymethyl)anilino]-N-methylpyridine-3-carboxamide;ethane
CID 142329881
5-chloro-2-(difluoromethyl)-N-[4-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]-2-methylsulfanylphenyl]-3-iodophosphanylimidazo[4,5-b]pyridin-7-amine;ethane
CID 142334852

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane?
The IUPAC name of N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane (CID 142334502) is N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane.
What is the SMILES notation for N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane?
The canonical SMILES for N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane is CC.COCc1ccc(Nc2cc(Cl)nc3c2nc(C)n3PI)c(N(C)S(C)=O)c1.
What is the InChIKey of N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane?
The InChIKey is QDTUYBBDJIYCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClIN5O2PS.C2H6/c1-10-20-16-13(8-15(18)22-17(16)24(10)27-19)21-12-6-5-11(9-26-3)7-14(12)23(2)28(4)25;1-2/h5-8,27H,9H2,1-4H3,(H,21,22);1-2H3.
What are the key properties of N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane?
N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane has a molecular weight of 581.85 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-3-iodophosphanyl-2-methylimidazo[4,5-b]pyridin-7-yl)amino]-5-(methoxymethyl)phenyl]-N-methylmethanesulfinamide;ethane is sourced from PubChem (CID 142334502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).