1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one

C33H31FN4O2 — CID 45252427

IUPAC1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
SMILESO=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1
InChIInChI=1S/C33H31FN4O2/c34-26-12-8-24(9-13-26)22-31-36-30-7-4-18-35-32(30)38(31)27-16-19-37(20-17-27)33(40)29(25-5-2-1-3-6-25)21-23-10-14-28(39)15-11-23/h1-15,18,27,29,39H,16-17,19-22H2
InChIKeyOVCCOFHZAABYNS-UHFFFAOYSA-N
MW534.64 g/mol
LogP6.06
Rot. Bonds7

About 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one

1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one (PubChem CID 45252427) has the molecular formula C33H31FN4O2 and a molecular weight of 534.64 g/mol. Its IUPAC name is 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
PubChem CID45252427
Molecular FormulaC33H31FN4O2
Molecular Weight534.64 g/mol
Exact Mass534.24
IUPAC Name1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
SMILESO=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1
InChIInChI=1S/C33H31FN4O2/c34-26-12-8-24(9-13-26)22-31-36-30-7-4-18-35-32(30)38(31)27-16-19-37(20-17-27)33(40)29(25-5-2-1-3-6-25)21-23-10-14-28(39)15-11-23/h1-15,18,27,29,39H,16-17,19-22H2
InChIKeyOVCCOFHZAABYNS-UHFFFAOYSA-N
XLogP6.06
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.64
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one (CID 45252427) is 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one is O=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1.
What is the InChIKey of 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one?
The InChIKey is OVCCOFHZAABYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN4O2/c34-26-12-8-24(9-13-26)22-31-36-30-7-4-18-35-32(30)38(31)27-16-19-37(20-17-27)33(40)29(25-5-2-1-3-6-25)21-23-10-14-28(39)15-11-23/h1-15,18,27,29,39H,16-17,19-22H2.
What are the key properties of 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one?
1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one has a molecular weight of 534.64 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one is sourced from PubChem (CID 45252427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).