5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol

C19H20FN7OS — CID 153383871

IUPAC5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol
SMILESCN(C1=Nc2sc(-c3ncc(-n4cc(F)cn4)cc3O)nc2C1)C1CCNCC1
InChIInChI=1S/C19H20FN7OS/c1-26(12-2-4-21-5-3-12)16-7-14-18(25-16)29-19(24-14)17-15(28)6-13(9-22-17)27-10-11(20)8-23-27/h6,8-10,12,21,28H,2-5,7H2,1H3
InChIKeyZDLPAUQRIUZHHA-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.51
Rot. Bonds3

About 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol

5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol (PubChem CID 153383871) has the molecular formula C19H20FN7OS and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol
PubChem CID153383871
Molecular FormulaC19H20FN7OS
Molecular Weight413.48 g/mol
Exact Mass413.14
IUPAC Name5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol
SMILESCN(C1=Nc2sc(-c3ncc(-n4cc(F)cn4)cc3O)nc2C1)C1CCNCC1
InChIInChI=1S/C19H20FN7OS/c1-26(12-2-4-21-5-3-12)16-7-14-18(25-16)29-19(24-14)17-15(28)6-13(9-22-17)27-10-11(20)8-23-27/h6,8-10,12,21,28H,2-5,7H2,1H3
InChIKeyZDLPAUQRIUZHHA-UHFFFAOYSA-N
XLogP2.51
TPSA91.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol?
The IUPAC name of 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol (CID 153383871) is 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol?
The canonical SMILES for 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol is CN(C1=Nc2sc(-c3ncc(-n4cc(F)cn4)cc3O)nc2C1)C1CCNCC1.
What is the InChIKey of 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol?
The InChIKey is ZDLPAUQRIUZHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7OS/c1-26(12-2-4-21-5-3-12)16-7-14-18(25-16)29-19(24-14)17-15(28)6-13(9-22-17)27-10-11(20)8-23-27/h6,8-10,12,21,28H,2-5,7H2,1H3.
What are the key properties of 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol?
5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol has a molecular weight of 413.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropyrazol-1-yl)-2-[5-[methyl(piperidin-4-yl)amino]-6H-pyrrolo[3,2-d][1,3]thiazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 153383871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).