phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

C28H27N5O2 — CID 66840026

IUPACphenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(ccn4-c4ccncc4)c3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-4-2-1-3-5-21)31-16-14-30(15-17-31)25-19-32(20-25)28(35)23-6-7-26-22(18-23)10-13-33(26)24-8-11-29-12-9-24/h1-13,18,25H,14-17,19-20H2
InChIKeyGXWJPQIRDYZRNV-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.31
Rot. Bonds4

About phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66840026) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
PubChem CID66840026
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Namephenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(ccn4-c4ccncc4)c3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-4-2-1-3-5-21)31-16-14-30(15-17-31)25-19-32(20-25)28(35)23-6-7-26-22(18-23)10-13-33(26)24-8-11-29-12-9-24/h1-13,18,25H,14-17,19-20H2
InChIKeyGXWJPQIRDYZRNV-UHFFFAOYSA-N
XLogP3.31
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
[4-[1-[1-(5-chloro-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66771958
(4-benzylpiperidin-1-yl)-(1-pyridin-4-ylindol-5-yl)methanone
CID 66892033
[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840299
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
1-benzoyl-4-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-2-one
CID 56947954
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one
CID 66823546
[1-(6-methyl-3-pyridinyl)indol-5-yl]-[3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71231955
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-(pyrimidine-2-carbonyl)piperazin-2-one
CID 56947704
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (CID 66840026) is phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc4c(ccn4-c4ccncc4)c3)C2)CC1.
What is the InChIKey of phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is GXWJPQIRDYZRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-27(21-4-2-1-3-5-21)31-16-14-30(15-17-31)25-19-32(20-25)28(35)23-6-7-26-22(18-23)10-13-33(26)24-8-11-29-12-9-24/h1-13,18,25H,14-17,19-20H2.
What are the key properties of phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66840026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).