3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C24H27FN8O — CID 54588488

IUPAC3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1nn(C2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C24H27FN8O/c1-15-21(14-32(31-15)19-5-7-27-8-6-19)17-11-23(24(26)28-13-17)34-16(2)20-12-18(25)3-4-22(20)33-29-9-10-30-33/h3-4,9-14,16,19,27H,5-8H2,1-2H3,(H2,26,28)/t16-/m1/s1
InChIKeyXDSRQUXSWHOAGD-MRXNPFEDSA-N
MW462.53 g/mol
LogP3.62
Rot. Bonds6

About 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 54588488) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID54588488
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESCc1nn(C2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C24H27FN8O/c1-15-21(14-32(31-15)19-5-7-27-8-6-19)17-11-23(24(26)28-13-17)34-16(2)20-12-18(25)3-4-22(20)33-29-9-10-30-33/h3-4,9-14,16,19,27H,5-8H2,1-2H3,(H2,26,28)/t16-/m1/s1
InChIKeyXDSRQUXSWHOAGD-MRXNPFEDSA-N
XLogP3.62
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 54588488) is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Cc1nn(C2CCNCC2)cc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1.
What is the InChIKey of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is XDSRQUXSWHOAGD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-15-21(14-32(31-15)19-5-7-27-8-6-19)17-11-23(24(26)28-13-17)34-16(2)20-12-18(25)3-4-22(20)33-29-9-10-30-33/h3-4,9-14,16,19,27H,5-8H2,1-2H3,(H2,26,28)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 462.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 54588488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).