(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone

C24H30N4O — CID 53145438

IUPAC(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
SMILESCCn1cc(CCN2CCN(C(=O)c3ccc(C)cc3C)CC2)c2cccnc21
InChIInChI=1S/C24H30N4O/c1-4-27-17-20(22-6-5-10-25-23(22)27)9-11-26-12-14-28(15-13-26)24(29)21-8-7-18(2)16-19(21)3/h5-8,10,16-17H,4,9,11-15H2,1-3H3
InChIKeyZWGYITHFALZXRG-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.67
Rot. Bonds5

About (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone

(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 53145438) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
PubChem CID53145438
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
SMILESCCn1cc(CCN2CCN(C(=O)c3ccc(C)cc3C)CC2)c2cccnc21
InChIInChI=1S/C24H30N4O/c1-4-27-17-20(22-6-5-10-25-23(22)27)9-11-26-12-14-28(15-13-26)24(29)21-8-7-18(2)16-19(21)3/h5-8,10,16-17H,4,9,11-15H2,1-3H3
InChIKeyZWGYITHFALZXRG-UHFFFAOYSA-N
XLogP3.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 53145435
3-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine
CID 53145518
(2-chlorophenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145412
(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145405
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145612
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
(2,4-dimethylphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331434
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53144310
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 19292997
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone (CID 53145438) is (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone is CCn1cc(CCN2CCN(C(=O)c3ccc(C)cc3C)CC2)c2cccnc21.
What is the InChIKey of (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is ZWGYITHFALZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-27-17-20(22-6-5-10-25-23(22)27)9-11-26-12-14-28(15-13-26)24(29)21-8-7-18(2)16-19(21)3/h5-8,10,16-17H,4,9,11-15H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53145438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).