[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol

C15H11FN6OS — CID 87945670

IUPAC[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1F
InChIInChI=1S/C15H11FN6OS/c16-12-8(7-23)3-4-17-13(12)22-15-21-11-2-1-10(20-14(11)24-15)9-5-18-19-6-9/h1-6,23H,7H2,(H,18,19)(H,17,21,22)
InChIKeyHBFNRJKRQQGSOW-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.85
Rot. Bonds4

About [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol

[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol (PubChem CID 87945670) has the molecular formula C15H11FN6OS and a molecular weight of 342.36 g/mol. Its IUPAC name is [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
PubChem CID87945670
Molecular FormulaC15H11FN6OS
Molecular Weight342.36 g/mol
Exact Mass342.07
IUPAC Name[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
SMILESOCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1F
InChIInChI=1S/C15H11FN6OS/c16-12-8(7-23)3-4-17-13(12)22-15-21-11-2-1-10(20-14(11)24-15)9-5-18-19-6-9/h1-6,23H,7H2,(H,18,19)(H,17,21,22)
InChIKeyHBFNRJKRQQGSOW-UHFFFAOYSA-N
XLogP2.85
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol (CID 87945670) is [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol is OCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)nc3s2)c1F.
What is the InChIKey of [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol?
The InChIKey is HBFNRJKRQQGSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6OS/c16-12-8(7-23)3-4-17-13(12)22-15-21-11-2-1-10(20-14(11)24-15)9-5-18-19-6-9/h1-6,23H,7H2,(H,18,19)(H,17,21,22).
What are the key properties of [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol?
[3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol has a molecular weight of 342.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 87945670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).