2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol

C20H19F2N5O2 — CID 10250318

IUPAC2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCn1ncnc1COc1cc(-c2cnc3c(F)c(C(C)(C)O)ccn23)ccc1F
InChIInChI=1S/C20H19F2N5O2/c1-20(2,28)13-6-7-27-15(9-23-19(27)18(13)22)12-4-5-14(21)16(8-12)29-10-17-24-11-25-26(17)3/h4-9,11,28H,10H2,1-3H3
InChIKeyZVHCWHIRCOFHLG-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.21
Rot. Bonds5

About 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol

2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (PubChem CID 10250318) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
PubChem CID10250318
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol
SMILESCn1ncnc1COc1cc(-c2cnc3c(F)c(C(C)(C)O)ccn23)ccc1F
InChIInChI=1S/C20H19F2N5O2/c1-20(2,28)13-6-7-27-15(9-23-19(27)18(13)22)12-4-5-14(21)16(8-12)29-10-17-24-11-25-26(17)3/h4-9,11,28H,10H2,1-3H3
InChIKeyZVHCWHIRCOFHLG-UHFFFAOYSA-N
XLogP3.21
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The IUPAC name of 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol (CID 10250318) is 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol.
What is the SMILES notation for 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The canonical SMILES for 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is Cn1ncnc1COc1cc(-c2cnc3c(F)c(C(C)(C)O)ccn23)ccc1F.
What is the InChIKey of 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
The InChIKey is ZVHCWHIRCOFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-20(2,28)13-6-7-27-15(9-23-19(27)18(13)22)12-4-5-14(21)16(8-12)29-10-17-24-11-25-26(17)3/h4-9,11,28H,10H2,1-3H3.
What are the key properties of 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol?
2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol has a molecular weight of 399.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-3-[4-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]propan-2-ol is sourced from PubChem (CID 10250318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).