4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine

C20H18FN5OS — CID 91419987

IUPAC4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(-c4c(F)ccnc4N)sc3C)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-12-18(25-20(28-12)17-16(21)7-8-23-19(17)22)14-9-24-26(11-14)10-13-3-5-15(27-2)6-4-13/h3-9,11H,10H2,1-2H3,(H2,22,23)
InChIKeyARKRXWIMEBXXGT-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.16
Rot. Bonds5

About 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine

4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine (PubChem CID 91419987) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine
PubChem CID91419987
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(Cn2cc(-c3nc(-c4c(F)ccnc4N)sc3C)cn2)cc1
InChIInChI=1S/C20H18FN5OS/c1-12-18(25-20(28-12)17-16(21)7-8-23-19(17)22)14-9-24-26(11-14)10-13-3-5-15(27-2)6-4-13/h3-9,11H,10H2,1-2H3,(H2,22,23)
InChIKeyARKRXWIMEBXXGT-UHFFFAOYSA-N
XLogP4.16
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine?
The IUPAC name of 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine (CID 91419987) is 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine is COc1ccc(Cn2cc(-c3nc(-c4c(F)ccnc4N)sc3C)cn2)cc1.
What is the InChIKey of 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine?
The InChIKey is ARKRXWIMEBXXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-12-18(25-20(28-12)17-16(21)7-8-23-19(17)22)14-9-24-26(11-14)10-13-3-5-15(27-2)6-4-13/h3-9,11H,10H2,1-2H3,(H2,22,23).
What are the key properties of 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine?
4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-1,3-thiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 91419987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).