[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H23ClN6O2S — CID 71232112

IUPAC[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(ccn2-c2ccc(Cl)cn2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C25H23ClN6O2S/c26-19-2-4-22(28-14-19)32-7-5-17-13-18(1-3-21(17)32)24(33)31-15-20(16-31)29-8-10-30(11-9-29)25(34)23-27-6-12-35-23/h1-7,12-14,20H,8-11,15-16H2
InChIKeyZJNCLDJTPRVPHA-UHFFFAOYSA-N
MW507.02 g/mol
LogP3.42
Rot. Bonds4

About [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 71232112) has the molecular formula C25H23ClN6O2S and a molecular weight of 507.02 g/mol. Its IUPAC name is [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID71232112
Molecular FormulaC25H23ClN6O2S
Molecular Weight507.02 g/mol
Exact Mass506.13
IUPAC Name[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(ccn2-c2ccc(Cl)cn2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C25H23ClN6O2S/c26-19-2-4-22(28-14-19)32-7-5-17-13-18(1-3-21(17)32)24(33)31-15-20(16-31)29-8-10-30(11-9-29)25(34)23-27-6-12-35-23/h1-7,12-14,20H,8-11,15-16H2
InChIKeyZJNCLDJTPRVPHA-UHFFFAOYSA-N
XLogP3.42
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.02
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[1-[1-(5-chloro-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66771958
1-[1-(5-chloro-2-pyridinyl)indol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653903
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
[1-(6-methyl-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232053
[1-(2,2-difluoroethyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 59625878
[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840427
(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-(1,3-thiazole-2-carbonyl)piperazin-2-one
CID 56947705
[4-chloro-2-(trifluoromethyl)quinolin-6-yl]-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840408
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56925181
phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 71232112) is [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2c(ccn2-c2ccc(Cl)cn2)c1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.
What is the InChIKey of [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is ZJNCLDJTPRVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2S/c26-19-2-4-22(28-14-19)32-7-5-17-13-18(1-3-21(17)32)24(33)31-15-20(16-31)29-8-10-30(11-9-29)25(34)23-27-6-12-35-23/h1-7,12-14,20H,8-11,15-16H2.
What are the key properties of [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 507.02 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-pyridinyl)indol-5-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 71232112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).