2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine

C25H23FN6O — CID 67004371

IUPAC2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCc1ncc(-c2ccc(Nc3cc(C(C)C)nc4c3nc(-c3ccc(F)cc3)n4C)cn2)o1
InChIInChI=1S/C25H23FN6O/c1-14(2)20-11-21(29-18-9-10-19(28-12-18)22-13-27-15(3)33-22)23-25(30-20)32(4)24(31-23)16-5-7-17(26)8-6-16/h5-14H,1-4H3,(H,29,30)
InChIKeyKWRSVUFWMNBXPW-UHFFFAOYSA-N
MW442.50 g/mol
LogP6.00
Rot. Bonds5

About 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine

2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine (PubChem CID 67004371) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine
PubChem CID67004371
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine
SMILESCc1ncc(-c2ccc(Nc3cc(C(C)C)nc4c3nc(-c3ccc(F)cc3)n4C)cn2)o1
InChIInChI=1S/C25H23FN6O/c1-14(2)20-11-21(29-18-9-10-19(28-12-18)22-13-27-15(3)33-22)23-25(30-20)32(4)24(31-23)16-5-7-17(26)8-6-16/h5-14H,1-4H3,(H,29,30)
InChIKeyKWRSVUFWMNBXPW-UHFFFAOYSA-N
XLogP6.00
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine (CID 67004371) is 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine is Cc1ncc(-c2ccc(Nc3cc(C(C)C)nc4c3nc(-c3ccc(F)cc3)n4C)cn2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is KWRSVUFWMNBXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-14(2)20-11-21(29-18-9-10-19(28-12-18)22-13-27-15(3)33-22)23-25(30-20)32(4)24(31-23)16-5-7-17(26)8-6-16/h5-14H,1-4H3,(H,29,30).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine?
2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 442.50 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-5-propan-2-ylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 67004371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).