1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C20H22N6O2 — CID 126945646

IUPAC1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCn1cc(CC(=O)N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-23-10-14(17-4-2-3-5-18(17)23)8-19(27)24-11-16(12-24)26-13-15(9-22-26)25-7-6-21-20(25)28/h2-5,9-10,13,16H,6-8,11-12H2,1H3,(H,21,28)
InChIKeyMEHMMJCNXVJSTJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.53
Rot. Bonds4

About 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945646) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945646
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCn1cc(CC(=O)N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc21
InChIInChI=1S/C20H22N6O2/c1-23-10-14(17-4-2-3-5-18(17)23)8-19(27)24-11-16(12-24)26-13-15(9-22-26)25-7-6-21-20(25)28/h2-5,9-10,13,16H,6-8,11-12H2,1H3,(H,21,28)
InChIKeyMEHMMJCNXVJSTJ-UHFFFAOYSA-N
XLogP1.53
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97252996
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
(1S,5R)-7-[2-(1-methylindol-3-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155500073
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
4-(fluoromethyl)-1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899702
1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945908
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 70750405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945646) is 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is Cn1cc(CC(=O)N2CC(n3cc(N4CCNC4=O)cn3)C2)c2ccccc21.
What is the InChIKey of 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is MEHMMJCNXVJSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-23-10-14(17-4-2-3-5-18(17)23)8-19(27)24-11-16(12-24)26-13-15(9-22-26)25-7-6-21-20(25)28/h2-5,9-10,13,16H,6-8,11-12H2,1H3,(H,21,28).
What are the key properties of 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).