1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one

C23H26ClN5O3 — CID 87351644

IUPAC1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CC(C)O)n3)C2=O)cc1
InChIInChI=1S/C23H26ClN5O3/c1-15-12-20(19(13-16(2)30)22(24)25-15)29-9-8-21(26-29)28-11-10-27(23(28)31)14-17-4-6-18(32-3)7-5-17/h4-9,12,16,30H,10-11,13-14H2,1-3H3
InChIKeySYPNEMHZLRXKFQ-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.60
Rot. Bonds7

About 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one

1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 87351644) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID87351644
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CC(C)O)n3)C2=O)cc1
InChIInChI=1S/C23H26ClN5O3/c1-15-12-20(19(13-16(2)30)22(24)25-15)29-9-8-21(26-29)28-11-10-27(23(28)31)14-17-4-6-18(32-3)7-5-17/h4-9,12,16,30H,10-11,13-14H2,1-3H3
InChIKeySYPNEMHZLRXKFQ-UHFFFAOYSA-N
XLogP3.60
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-4-[3-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]propanal
CID 87856521
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
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
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
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
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide
CID 46069673
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
3-(2-hydroxyethyl)-7-[(4-methoxyphenyl)methyl]-1-methyl-5,6-dihydroimidazo[1,5-a]pyrazin-8-one
CID 174354566
[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]boronic acid
CID 175477435

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one (CID 87351644) is 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one is COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc(Cl)c4CC(C)O)n3)C2=O)cc1.
What is the InChIKey of 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is SYPNEMHZLRXKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-15-12-20(19(13-16(2)30)22(24)25-15)29-9-8-21(26-29)28-11-10-27(23(28)31)14-17-4-6-18(32-3)7-5-17/h4-9,12,16,30H,10-11,13-14H2,1-3H3.
What are the key properties of 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 455.95 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-chloro-3-(2-hydroxypropyl)-6-methyl-4-pyridinyl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 87351644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).