5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine

C23H13F5N6 — CID 67436537

IUPAC5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine
SMILESNc1nc(-c2nc(Cc3c(F)ccc(F)c3F)n3cc(F)ccc23)ncc1-c1ccncc1F
InChIInChI=1S/C23H13F5N6/c24-11-1-4-18-21(23-31-8-14(22(29)33-23)12-5-6-30-9-17(12)27)32-19(34(18)10-11)7-13-15(25)2-3-16(26)20(13)28/h1-6,8-10H,7H2,(H2,29,31,33)
InChIKeyRKPSLKTXFWGGBD-UHFFFAOYSA-N
MW468.39 g/mol
LogP4.72
Rot. Bonds4

About 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine

5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine (PubChem CID 67436537) has the molecular formula C23H13F5N6 and a molecular weight of 468.39 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine
PubChem CID67436537
Molecular FormulaC23H13F5N6
Molecular Weight468.39 g/mol
Exact Mass468.11
IUPAC Name5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine
SMILESNc1nc(-c2nc(Cc3c(F)ccc(F)c3F)n3cc(F)ccc23)ncc1-c1ccncc1F
InChIInChI=1S/C23H13F5N6/c24-11-1-4-18-21(23-31-8-14(22(29)33-23)12-5-6-30-9-17(12)27)32-19(34(18)10-11)7-13-15(25)2-3-16(26)20(13)28/h1-6,8-10H,7H2,(H2,29,31,33)
InChIKeyRKPSLKTXFWGGBD-UHFFFAOYSA-N
XLogP4.72
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine (CID 67436537) is 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine is Nc1nc(-c2nc(Cc3c(F)ccc(F)c3F)n3cc(F)ccc23)ncc1-c1ccncc1F.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine?
The InChIKey is RKPSLKTXFWGGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N6/c24-11-1-4-18-21(23-31-8-14(22(29)33-23)12-5-6-30-9-17(12)27)32-19(34(18)10-11)7-13-15(25)2-3-16(26)20(13)28/h1-6,8-10H,7H2,(H2,29,31,33).
What are the key properties of 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine?
5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine has a molecular weight of 468.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-2-[6-fluoro-3-[(2,3,6-trifluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 67436537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).