1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C20H22N6O3 — CID 126945962

IUPAC1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1ccc2cc(C(=O)N3CC(n4cc(N5CCN(C)C5=O)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H22N6O3/c1-23-5-6-25(20(23)28)14-9-21-26(12-14)15-10-24(11-15)19(27)18-7-13-3-4-16(29-2)8-17(13)22-18/h3-4,7-9,12,15,22H,5-6,10-11H2,1-2H3
InChIKeyQOJOXMQTJMLIQW-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.94
Rot. Bonds4

About 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126945962) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126945962
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCOc1ccc2cc(C(=O)N3CC(n4cc(N5CCN(C)C5=O)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H22N6O3/c1-23-5-6-25(20(23)28)14-9-21-26(12-14)15-10-24(11-15)19(27)18-7-13-3-4-16(29-2)8-17(13)22-18/h3-4,7-9,12,15,22H,5-6,10-11H2,1-2H3
InChIKeyQOJOXMQTJMLIQW-UHFFFAOYSA-N
XLogP1.94
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945631
1-methyl-3-[1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946004
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946284
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945960
1-methyl-3-[1-[1-[2-(trifluoromethyl)benzoyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946277
1-[1-[1-[6-(dimethylamino)pyridazine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946005
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126945962) is 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is COc1ccc2cc(C(=O)N3CC(n4cc(N5CCN(C)C5=O)cn4)C3)[nH]c2c1.
What is the InChIKey of 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is QOJOXMQTJMLIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-23-5-6-25(20(23)28)14-9-21-26(12-14)15-10-24(11-15)19(27)18-7-13-3-4-16(29-2)8-17(13)22-18/h3-4,7-9,12,15,22H,5-6,10-11H2,1-2H3.
What are the key properties of 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 394.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126945962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).