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

C22H23F3N8S — CID 87945676

IUPAC5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(F)(F)F)CC4)ccn3)sc2n1
InChIInChI=1S/C22H23F3N8S/c1-14-16(13-27-31-14)17-2-3-18-20(28-17)34-21(29-18)30-19-12-15(4-6-26-19)33-10-8-32(9-11-33)7-5-22(23,24)25/h2-4,6,12-13H,5,7-11H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyLZDBJWNMMGJUAE-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.60
Rot. Bonds6

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

5-(5-methyl-1H-pyrazol-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 87945676) has the molecular formula C22H23F3N8S and a molecular weight of 488.54 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID87945676
Molecular FormulaC22H23F3N8S
Molecular Weight488.54 g/mol
Exact Mass488.17
IUPAC Name5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(F)(F)F)CC4)ccn3)sc2n1
InChIInChI=1S/C22H23F3N8S/c1-14-16(13-27-31-14)17-2-3-18-20(28-17)34-21(29-18)30-19-12-15(4-6-26-19)33-10-8-32(9-11-33)7-5-22(23,24)25/h2-4,6,12-13H,5,7-11H2,1H3,(H,27,31)(H,26,29,30)
InChIKeyLZDBJWNMMGJUAE-UHFFFAOYSA-N
XLogP4.60
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 87945676) is 5-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is Cc1[nH]ncc1-c1ccc2nc(Nc3cc(N4CCN(CCC(F)(F)F)CC4)ccn3)sc2n1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-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 LZDBJWNMMGJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8S/c1-14-16(13-27-31-14)17-2-3-18-20(28-17)34-21(29-18)30-19-12-15(4-6-26-19)33-10-8-32(9-11-33)7-5-22(23,24)25/h2-4,6,12-13H,5,7-11H2,1H3,(H,27,31)(H,26,29,30).
What are the key properties of 5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-(5-methyl-1H-pyrazol-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 488.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-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 87945676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).