4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol

C23H29N5O — CID 139416047

IUPAC4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1
InChIInChI=1S/C23H29N5O/c29-21-6-4-20(5-7-21)26-15-17-27(18-16-26)22-8-3-19-9-12-28(23(19)24-22)14-13-25-10-1-2-11-25/h3-9,12,29H,1-2,10-11,13-18H2
InChIKeyBUWWQFWNVSZCDI-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.16
Rot. Bonds5

About 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol

4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol (PubChem CID 139416047) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol
PubChem CID139416047
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1
InChIInChI=1S/C23H29N5O/c29-21-6-4-20(5-7-21)26-15-17-27(18-16-26)22-8-3-19-9-12-28(23(19)24-22)14-13-25-10-1-2-11-25/h3-9,12,29H,1-2,10-11,13-18H2
InChIKeyBUWWQFWNVSZCDI-UHFFFAOYSA-N
XLogP3.16
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol with MolForge

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Related Compounds

4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
3-(4-(4-methoxyphenyl)piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
CID 9905249
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
4-(2-(1-methyl-1H-pyrrol-2-yl)-1H-benzo[d]imidazol-1-yl)phenol
CID 11778912
4-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenol
CID 18792940
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-pyrrolo[2,3-b]pyridine
CID 44370058
3-{7-[2-(dimethylamino)ethyl]-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}phenol
CID 44600808
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710
3,5-Difluoro-4-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-8-propan-2-ylpurin-9-yl]phenol
CID 135227303
4-[6-[4-(4-Isopropyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137001370
4-[6-[4-(4-Methyl-piperazin-1-yl)phenyl]imidazo [1,2-a]pyrazin-3-yl]phenol
CID 137120123
4-(6-Phenylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 141381328

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol (CID 139416047) is 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3ccc4ccn(CCN5CCCC5)c4n3)CC2)cc1.
What is the InChIKey of 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol?
The InChIKey is BUWWQFWNVSZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-21-6-4-20(5-7-21)26-15-17-27(18-16-26)22-8-3-19-9-12-28(23(19)24-22)14-13-25-10-1-2-11-25/h3-9,12,29H,1-2,10-11,13-18H2.
What are the key properties of 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol?
4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol has a molecular weight of 391.52 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-6-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 139416047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).