3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal

C23H24ClN5O3 — CID 87856521

IUPAC3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal
SMILESCOc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CCC=O)n3)C2=O)cc1
InChIInChI=1S/C23H24ClN5O3/c1-16-14-20(19(4-3-13-30)22(24)25-16)29-10-9-21(26-29)28-12-11-27(23(28)31)15-17-5-7-18(32-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyHZQZKPXUQMRCMZ-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.81
Rot. Bonds8

About 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal

3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal (PubChem CID 87856521) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal
PubChem CID87856521
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal
SMILESCOc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CCC=O)n3)C2=O)cc1
InChIInChI=1S/C23H24ClN5O3/c1-16-14-20(19(4-3-13-30)22(24)25-16)29-10-9-21(26-29)28-12-11-27(23(28)31)15-17-5-7-18(32-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3
InChIKeyHZQZKPXUQMRCMZ-UHFFFAOYSA-N
XLogP3.81
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 87351644
4-[[3-(2-hydroxyethyl)-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-2-pyridinyl]amino]-3-methylbenzonitrile
CID 67312156
1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 67312128
4-[4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 67311821
3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 86675590
[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate
CID 175073848
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one
CID 67312116
1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
CID 5023328
3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 174354566
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 139463206

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal?
The IUPAC name of 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal (CID 87856521) is 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal.
What is the SMILES notation for 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal?
The canonical SMILES for 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal is COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CCC=O)n3)C2=O)cc1.
What is the InChIKey of 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal?
The InChIKey is HZQZKPXUQMRCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-16-14-20(19(4-3-13-30)22(24)25-16)29-10-9-21(26-29)28-12-11-27(23(28)31)15-17-5-7-18(32-2)8-6-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3.
What are the key properties of 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal?
3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal has a molecular weight of 453.93 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal is sourced from PubChem (CID 87856521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).