5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine

C20H22F2N6S — CID 172632085

IUPAC5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine
SMILESC/N=C/C(=C\N)c1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1SC(C)(C)C
InChIInChI=1S/C20H22F2N6S/c1-20(2,3)29-16-10-28-15(13-5-14(21)19(24)27-18(13)22)9-26-17(28)6-12(16)11(7-23)8-25-4/h5-10H,23H2,1-4H3,(H2,24,27)/b11-7+,25-8+
InChIKeyFEPMXYVADAITOY-DJCPTOQESA-N
MW416.50 g/mol
LogP4.15
Rot. Bonds4

About 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine

5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine (PubChem CID 172632085) has the molecular formula C20H22F2N6S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine.

Molecular Properties

Compound Name5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine
PubChem CID172632085
Molecular FormulaC20H22F2N6S
Molecular Weight416.50 g/mol
Exact Mass416.16
IUPAC Name5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine
SMILESC/N=C/C(=C\N)c1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1SC(C)(C)C
InChIInChI=1S/C20H22F2N6S/c1-20(2,3)29-16-10-28-15(13-5-14(21)19(24)27-18(13)22)9-26-17(28)6-12(16)11(7-23)8-25-4/h5-10H,23H2,1-4H3,(H2,24,27)/b11-7+,25-8+
InChIKeyFEPMXYVADAITOY-DJCPTOQESA-N
XLogP4.15
TPSA94.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]methanol
CID 172631976
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2,6-difluoroaniline
CID 170616408
2-[[3-(6-amino-2,5-difluoro-3-pyridinyl)-6-tert-butylsulfonylimidazo[1,2-a]pyridin-7-yl]oxymethyl]butan-1-ol
CID 178094082
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490
2-[3-(6-amino-3,5-difluoro-2-pyridinyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129444
6-tert-butylsulfanyl-3-(3-fluoro-5-methylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 170616482
(2S)-1-[3-(6-amino-2,5-difluoro-3-pyridinyl)-5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-6-yl]oxypropan-2-ol
CID 178094064
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
5-(5-tert-butylsulfanyl-6-methoxypyrazolo[1,5-a]pyridin-3-yl)-6-fluoropyridin-2-amine
CID 170616611
3-(6-amino-3,5-difluoro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 169129919
3,5-difluoro-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 169129472

Frequently Asked Questions

What is the IUPAC name of 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine?
The IUPAC name of 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine (CID 172632085) is 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine.
What is the SMILES notation for 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine?
The canonical SMILES for 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine is C/N=C/C(=C\N)c1cc2ncc(-c3cc(F)c(N)nc3F)n2cc1SC(C)(C)C.
What is the InChIKey of 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine?
The InChIKey is FEPMXYVADAITOY-DJCPTOQESA-N. The full InChI is InChI=1S/C20H22F2N6S/c1-20(2,3)29-16-10-28-15(13-5-14(21)19(24)27-18(13)22)9-26-17(28)6-12(16)11(7-23)8-25-4/h5-10H,23H2,1-4H3,(H2,24,27)/b11-7+,25-8+.
What are the key properties of 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine?
5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine has a molecular weight of 416.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-tert-butylsulfanylimidazo[1,2-a]pyridin-3-yl]-3,6-difluoropyridin-2-amine is sourced from PubChem (CID 172632085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).