(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C21H24N6O2 — CID 126893730

IUPAC(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CC(N4CCN(c5ncccn5)CC4)C3)[nH]c2c1
InChIInChI=1S/C21H24N6O2/c1-29-17-4-3-15-11-19(24-18(15)12-17)20(28)27-13-16(14-27)25-7-9-26(10-8-25)21-22-5-2-6-23-21/h2-6,11-12,16,24H,7-10,13-14H2,1H3
InChIKeyNFVDRVSUIBMYRU-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.61
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126893730) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126893730
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CC(N4CCN(c5ncccn5)CC4)C3)[nH]c2c1
InChIInChI=1S/C21H24N6O2/c1-29-17-4-3-15-11-19(24-18(15)12-17)20(28)27-13-16(14-27)25-7-9-26(10-8-25)21-22-5-2-6-23-21/h2-6,11-12,16,24H,7-10,13-14H2,1H3
InChIKeyNFVDRVSUIBMYRU-UHFFFAOYSA-N
XLogP1.61
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone with MolForge

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945631
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945962
[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840609
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799041
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126893730) is (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is COc1ccc2cc(C(=O)N3CC(N4CCN(c5ncccn5)CC4)C3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is NFVDRVSUIBMYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-17-4-3-15-11-19(24-18(15)12-17)20(28)27-13-16(14-27)25-7-9-26(10-8-25)21-22-5-2-6-23-21/h2-6,11-12,16,24H,7-10,13-14H2,1H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126893730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).