2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol

C21H20FN7O — CID 143864647

IUPAC2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol
SMILESCC(C)Nc1nccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2cnc(N)c(O)c2)n1
InChIInChI=1S/C21H20FN7O/c1-11(2)26-21-24-8-7-15(27-21)18-17(13-9-16(30)19(23)25-10-13)28-20(29-18)12-3-5-14(22)6-4-12/h3-11,30H,1-2H3,(H2,23,25)(H,28,29)(H,24,26,27)
InChIKeyZNUMIWQQBQMGSS-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.84
Rot. Bonds5

About 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol

2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol (PubChem CID 143864647) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol
PubChem CID143864647
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol
SMILESCC(C)Nc1nccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2cnc(N)c(O)c2)n1
InChIInChI=1S/C21H20FN7O/c1-11(2)26-21-24-8-7-15(27-21)18-17(13-9-16(30)19(23)25-10-13)28-20(29-18)12-3-5-14(22)6-4-12/h3-11,30H,1-2H3,(H2,23,25)(H,28,29)(H,24,26,27)
InChIKeyZNUMIWQQBQMGSS-UHFFFAOYSA-N
XLogP3.84
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol?
The IUPAC name of 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol (CID 143864647) is 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol.
What is the SMILES notation for 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol?
The canonical SMILES for 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol is CC(C)Nc1nccc(-c2[nH]c(-c3ccc(F)cc3)nc2-c2cnc(N)c(O)c2)n1.
What is the InChIKey of 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol?
The InChIKey is ZNUMIWQQBQMGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-11(2)26-21-24-8-7-15(27-21)18-17(13-9-16(30)19(23)25-10-13)28-20(29-18)12-3-5-14(22)6-4-12/h3-11,30H,1-2H3,(H2,23,25)(H,28,29)(H,24,26,27).
What are the key properties of 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol?
2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol has a molecular weight of 405.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(4-fluorophenyl)-5-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]pyridin-3-ol is sourced from PubChem (CID 143864647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).