2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine

C24H29ClN2O2 — CID 127041338

IUPAC2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCC(C)Oc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl
InChIInChI=1S/C24H29ClN2O2/c1-16(15-28-2)29-23-10-9-18(13-21(23)25)20(12-17-6-3-4-7-17)22-14-19-8-5-11-26-24(19)27-22/h5,8-11,13-14,16-17,20H,3-4,6-7,12,15H2,1-2H3,(H,26,27)
InChIKeyZWOHLWADEZHKEZ-UHFFFAOYSA-N
MW412.96 g/mol
LogP6.34
Rot. Bonds8

About 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine

2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 127041338) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID127041338
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCC(C)Oc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl
InChIInChI=1S/C24H29ClN2O2/c1-16(15-28-2)29-23-10-9-18(13-21(23)25)20(12-17-6-3-4-7-17)22-14-19-8-5-11-26-24(19)27-22/h5,8-11,13-14,16-17,20H,3-4,6-7,12,15H2,1-2H3,(H,26,27)
InChIKeyZWOHLWADEZHKEZ-UHFFFAOYSA-N
XLogP6.34
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.96
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzonitrile
CID 127040026
2-[1-(3-chloro-4-diethoxyphosphorylphenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
CID 127041335
2,4-bis[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]pentan-3-one
CID 151469768
N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
CID 53251719
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
8-fluoro-7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434507
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711
2-[(1R)-2-cyclopentyl-1-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]ethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 53251410

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine (CID 127041338) is 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine is COCC(C)Oc1ccc(C(CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl.
What is the InChIKey of 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZWOHLWADEZHKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-16(15-28-2)29-23-10-9-18(13-21(23)25)20(12-17-6-3-4-7-17)22-14-19-8-5-11-26-24(19)27-22/h5,8-11,13-14,16-17,20H,3-4,6-7,12,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine?
2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 412.96 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 127041338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).