3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one

C26H29FN6O2 — CID 159724382

IUPAC3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
SMILESCn1cc(-c2nc3nccc(-c4ccc(CCC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H29FN6O2/c1-26(2,3)35-19-14-33(15-19)22(34)8-7-16-5-6-17(11-21(16)27)20-9-10-28-25-23(20)30-24(31-25)18-12-29-32(4)13-18/h5-6,9-13,19H,7-8,14-15H2,1-4H3,(H,28,30,31)
InChIKeyVNSBGRPJOKMLQW-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.12
Rot. Bonds6

About 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one

3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one (PubChem CID 159724382) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
PubChem CID159724382
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
SMILESCn1cc(-c2nc3nccc(-c4ccc(CCC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)c3[nH]2)cn1
InChIInChI=1S/C26H29FN6O2/c1-26(2,3)35-19-14-33(15-19)22(34)8-7-16-5-6-17(11-21(16)27)20-9-10-28-25-23(20)30-24(31-25)18-12-29-32(4)13-18/h5-6,9-13,19H,7-8,14-15H2,1-4H3,(H,28,30,31)
InChIKeyVNSBGRPJOKMLQW-UHFFFAOYSA-N
XLogP4.12
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?
The IUPAC name of 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one (CID 159724382) is 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one is Cn1cc(-c2nc3nccc(-c4ccc(CCC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)c3[nH]2)cn1.
What is the InChIKey of 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?
The InChIKey is VNSBGRPJOKMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-26(2,3)35-19-14-33(15-19)22(34)8-7-16-5-6-17(11-21(16)27)20-9-10-28-25-23(20)30-24(31-25)18-12-29-32(4)13-18/h5-6,9-13,19H,7-8,14-15H2,1-4H3,(H,28,30,31).
What are the key properties of 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?
3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one has a molecular weight of 476.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 159724382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).