4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol

C18H18N2O — CID 174523287

IUPAC4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1ccc(-c2cnc3[nH]cc(C4CCCC4)c3c2)cc1
InChIInChI=1S/C18H18N2O/c21-15-7-5-12(6-8-15)14-9-16-17(13-3-1-2-4-13)11-20-18(16)19-10-14/h5-11,13,21H,1-4H2,(H,19,20)
InChIKeyHXDCFKXIVQRWEH-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.59
Rot. Bonds2

About 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol

4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (PubChem CID 174523287) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.

Molecular Properties

Compound Name4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
PubChem CID174523287
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
SMILESOc1ccc(-c2cnc3[nH]cc(C4CCCC4)c3c2)cc1
InChIInChI=1S/C18H18N2O/c21-15-7-5-12(6-8-15)14-9-16-17(13-3-1-2-4-13)11-20-18(16)19-10-14/h5-11,13,21H,1-4H2,(H,19,20)
InChIKeyHXDCFKXIVQRWEH-UHFFFAOYSA-N
XLogP4.59
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166302110
5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-ol
CID 133091526
N-cycloheptyl-4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206403
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 154846002
5-[7-methyl-7-(2-methylpyrrolidin-1-yl)-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl]-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 166137839
4-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648400
N-cycloheptyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206420
4-[5-(2,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzene-1,2-diol
CID 72792896
N-[5-(4-hydroxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide
CID 118714151
5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
CID 166842378
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The IUPAC name of 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol (CID 174523287) is 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol.
What is the SMILES notation for 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The canonical SMILES for 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is Oc1ccc(-c2cnc3[nH]cc(C4CCCC4)c3c2)cc1.
What is the InChIKey of 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
The InChIKey is HXDCFKXIVQRWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-15-7-5-12(6-8-15)14-9-16-17(13-3-1-2-4-13)11-20-18(16)19-10-14/h5-11,13,21H,1-4H2,(H,19,20).
What are the key properties of 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol?
4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol has a molecular weight of 278.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol is sourced from PubChem (CID 174523287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).