5-(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

C21H21F3N8S — CID 87944498

IUPAC5-(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
SMILESFC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C21H21F3N8S/c22-21(23,24)4-6-31-7-9-32(10-8-31)15-3-5-25-18(11-15)30-20-29-17-2-1-16(28-19(17)33-20)14-12-26-27-13-14/h1-3,5,11-13H,4,6-10H2,(H,26,27)(H,25,29,30)
InChIKeyDCYQEVOEIXWGHU-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.29
Rot. Bonds6

About 5-(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-(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 87944498) has the molecular formula C21H21F3N8S and a molecular weight of 474.52 g/mol. Its IUPAC name is 5-(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-(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 CID87944498
Molecular FormulaC21H21F3N8S
Molecular Weight474.52 g/mol
Exact Mass474.16
IUPAC Name5-(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
SMILESFC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1
InChIInChI=1S/C21H21F3N8S/c22-21(23,24)4-6-31-7-9-32(10-8-31)15-3-5-25-18(11-15)30-20-29-17-2-1-16(28-19(17)33-20)14-12-26-27-13-14/h1-3,5,11-13H,4,6-10H2,(H,26,27)(H,25,29,30)
InChIKeyDCYQEVOEIXWGHU-UHFFFAOYSA-N
XLogP4.29
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(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-(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 87944498) is 5-(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-(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-(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 FC(F)(F)CCN1CCN(c2ccnc(Nc3nc4ccc(-c5cn[nH]c5)nc4s3)c2)CC1.
What is the InChIKey of 5-(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 DCYQEVOEIXWGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8S/c22-21(23,24)4-6-31-7-9-32(10-8-31)15-3-5-25-18(11-15)30-20-29-17-2-1-16(28-19(17)33-20)14-12-26-27-13-14/h1-3,5,11-13H,4,6-10H2,(H,26,27)(H,25,29,30).
What are the key properties of 5-(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-(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 474.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(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 87944498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).