N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine

C20H21F2N5O2S — CID 74767093

IUPACN-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
SMILES[H]N=S(=O)(CCN)Cc1ccnc(Nc2cc(-c3ccc(F)cc3OC)c(F)cn2)c1
InChIInChI=1S/C20H21F2N5O2S/c1-29-18-9-14(21)2-3-15(18)16-10-20(26-11-17(16)22)27-19-8-13(4-6-25-19)12-30(24,28)7-5-23/h2-4,6,8-11,24H,5,7,12,23H2,1H3,(H,25,26,27)
InChIKeyGSAYYCASZXKVKU-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.68
Rot. Bonds8

About N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine

N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine (PubChem CID 74767093) has the molecular formula C20H21F2N5O2S and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
PubChem CID74767093
Molecular FormulaC20H21F2N5O2S
Molecular Weight433.48 g/mol
Exact Mass433.14
IUPAC NameN-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
SMILES[H]N=S(=O)(CCN)Cc1ccnc(Nc2cc(-c3ccc(F)cc3OC)c(F)cn2)c1
InChIInChI=1S/C20H21F2N5O2S/c1-29-18-9-14(21)2-3-15(18)16-10-20(26-11-17(16)22)27-19-8-13(4-6-25-19)12-30(24,28)7-5-23/h2-4,6,8-11,24H,5,7,12,23H2,1H3,(H,25,26,27)
InChIKeyGSAYYCASZXKVKU-UHFFFAOYSA-N
XLogP3.68
TPSA113.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine with MolForge

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Related Compounds

N-[4-[(ethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 90165609
(2S)-2-[[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]amino]-3-methylbutanamide
CID 172547703
1-ethyl-3-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]urea
CID 74767096
4-[[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]amino]-4-oxobutanoic acid
CID 176837125
N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-[(3E)-3-methoxypenta-1,3-dien-2-yl]pyridin-2-amine
CID 90165599
N-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methyl-methyl-oxo-λ6-sulfanylidene]-2-(4-prop-2-ynylpiperidin-1-yl)acetamide
CID 176837150
6-fluoro-N-[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-(methylsulfanylmethyl)pyridin-2-amine
CID 90104258
N-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-pyridinyl]methylidene-methyl-oxo-λ6-sulfanyl]-2,3-dimethylhexanamide
CID 123687326
5-fluoro-4-(4-fluoro-1-benzofuran-7-yl)-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyridin-2-amine
CID 118367659
2,2,2-trifluoro-N-[[2-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-6-(trifluoromethyl)-4-pyridinyl]methylidene-methyl-oxo-λ6-sulfanyl]acetamide
CID 123257435
5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-[(methylsulfonodiimidoyl)methyl]phenyl]pyrimidin-2-amine
CID 118419634
2-[[3-[[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methylsulfonyl]ethanol
CID 71509029

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine?
The IUPAC name of N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine (CID 74767093) is N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine is [H]N=S(=O)(CCN)Cc1ccnc(Nc2cc(-c3ccc(F)cc3OC)c(F)cn2)c1.
What is the InChIKey of N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine?
The InChIKey is GSAYYCASZXKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2S/c1-29-18-9-14(21)2-3-15(18)16-10-20(26-11-17(16)22)27-19-8-13(4-6-25-19)12-30(24,28)7-5-23/h2-4,6,8-11,24H,5,7,12,23H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine?
N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoethylsulfonimidoyl)methyl]-2-pyridinyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 74767093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).