5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C23H22F3N7S — CID 87944732

IUPAC5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1
InChIInChI=1S/C23H22F3N7S/c24-23(25,26)6-10-32-11-13-33(14-12-32)17-5-9-28-20(15-17)31-22-30-19-2-1-18(29-21(19)34-22)16-3-7-27-8-4-16/h1-5,7-9,15H,6,10-14H2,(H,28,30,31)
InChIKeyZEHYGGQSXPPDIM-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.97
Rot. Bonds6

About 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 87944732) has the molecular formula C23H22F3N7S and a molecular weight of 485.54 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87944732
Molecular FormulaC23H22F3N7S
Molecular Weight485.54 g/mol
Exact Mass485.16
IUPAC Name5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESFC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1
InChIInChI=1S/C23H22F3N7S/c24-23(25,26)6-10-32-11-13-33(14-12-32)17-5-9-28-20(15-17)31-22-30-19-2-1-18(29-21(19)34-22)16-3-7-27-8-4-16/h1-5,7-9,15H,6,10-14H2,(H,28,30,31)
InChIKeyZEHYGGQSXPPDIM-UHFFFAOYSA-N
XLogP4.97
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87944732) is 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is FC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)nc4s3)c2)CC1.
What is the InChIKey of 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is ZEHYGGQSXPPDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7S/c24-23(25,26)6-10-32-11-13-33(14-12-32)17-5-9-28-20(15-17)31-22-30-19-2-1-18(29-21(19)34-22)16-3-7-27-8-4-16/h1-5,7-9,15H,6,10-14H2,(H,28,30,31).
What are the key properties of 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 485.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 87944732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).