1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one

C29H30N6O2 — CID 42479206

IUPAC1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C29H30N6O2/c36-28(22-8-4-9-24(20-22)34-19-16-31-29(34)37)33-17-13-23(14-18-33)35-26(12-11-21-6-2-1-3-7-21)32-25-10-5-15-30-27(25)35/h1-10,15,20,23H,11-14,16-19H2,(H,31,37)
InChIKeyFRSIWXSOPBJAED-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.22
Rot. Bonds6

About 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 42479206) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID42479206
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESO=C(c1cccc(N2CCNC2=O)c1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C29H30N6O2/c36-28(22-8-4-9-24(20-22)34-19-16-31-29(34)37)33-17-13-23(14-18-33)35-26(12-11-21-6-2-1-3-7-21)32-25-10-5-15-30-27(25)35/h1-10,15,20,23H,11-14,16-19H2,(H,31,37)
InChIKeyFRSIWXSOPBJAED-UHFFFAOYSA-N
XLogP4.22
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 42421954
[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
[(4S)-2,2-dimethyloxan-4-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484058
4-[1-oxo-1-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]propan-2-yl]-2H-phthalazin-1-one
CID 118758902
(E)-1-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 42164508
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
[5-(methoxymethyl)furan-2-yl]-[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42484331
[4-[2-[2-(3-methoxyphenyl)ethyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 26278368
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 42479206) is 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one is O=C(c1cccc(N2CCNC2=O)c1)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1.
What is the InChIKey of 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is FRSIWXSOPBJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c36-28(22-8-4-9-24(20-22)34-19-16-31-29(34)37)33-17-13-23(14-18-33)35-26(12-11-21-6-2-1-3-7-21)32-25-10-5-15-30-27(25)35/h1-10,15,20,23H,11-14,16-19H2,(H,31,37).
What are the key properties of 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 494.60 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 42479206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).