4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline

C22H25N3 — CID 67227939

IUPAC4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/C2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-25(2)19-11-9-17(10-12-19)20(14-16-6-3-4-7-16)21-15-18-8-5-13-23-22(18)24-21/h5,8-16H,3-4,6-7H2,1-2H3,(H,23,24)/b20-14-
InChIKeyCXCZXSDPLWBRBC-ZHZULCJRSA-N
MW331.46 g/mol
LogP5.25
Rot. Bonds4

About 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline

4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 67227939) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID67227939
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C(=C/C2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C22H25N3/c1-25(2)19-11-9-17(10-12-19)20(14-16-6-3-4-7-16)21-15-18-8-5-13-23-22(18)24-21/h5,8-16H,3-4,6-7H2,1-2H3,(H,23,24)/b20-14-
InChIKeyCXCZXSDPLWBRBC-ZHZULCJRSA-N
XLogP5.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
CID 123810534
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
2-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228582
2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228581
2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228275
2-[(Z)-3,3-dimethyl-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229174
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 122648492
2,4-bis[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]pentan-3-one
CID 151469768
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
CID 165433208
ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 145385089
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
CID 117094795
N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
CID 53251719

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline (CID 67227939) is 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C(=C/C2CCCC2)c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is CXCZXSDPLWBRBC-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H25N3/c1-25(2)19-11-9-17(10-12-19)20(14-16-6-3-4-7-16)21-15-18-8-5-13-23-22(18)24-21/h5,8-16H,3-4,6-7H2,1-2H3,(H,23,24)/b20-14-.
What are the key properties of 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline?
4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 331.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 67227939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).