4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile

C24H26N4O — CID 123724047

IUPAC4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3c(ccn3CC3CCNC3)nc2OCCC2CC2)cc1
InChIInChI=1S/C24H26N4O/c25-14-18-3-5-20(6-4-18)21-13-23-22(27-24(21)29-12-9-17-1-2-17)8-11-28(23)16-19-7-10-26-15-19/h3-6,8,11,13,17,19,26H,1-2,7,9-10,12,15-16H2
InChIKeyHWOQJCOLUYEGJQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.36
Rot. Bonds7

About 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile

4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile (PubChem CID 123724047) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
PubChem CID123724047
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3c(ccn3CC3CCNC3)nc2OCCC2CC2)cc1
InChIInChI=1S/C24H26N4O/c25-14-18-3-5-20(6-4-18)21-13-23-22(27-24(21)29-12-9-17-1-2-17)8-11-28(23)16-19-7-10-26-15-19/h3-6,8,11,13,17,19,26H,1-2,7,9-10,12,15-16H2
InChIKeyHWOQJCOLUYEGJQ-UHFFFAOYSA-N
XLogP4.36
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile with MolForge

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Related Compounds

4-[5-[(4-iodophenyl)methoxy]-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 118152124
4-[5-ethoxy-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 121289754
4-[1-[3-(propylamino)propyl]-5-(3,3,3-trifluoropropoxy)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 144862826
(3R)-3-[[5-chloro-6-(4-cyanophenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carboxylic acid
CID 118917231
tert-butyl (3R)-3-[[6-(4-cyanophenyl)-5-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 121289765
4-[5-(2-cyclopropylethoxy)-1-[(3-fluoropyrrolidin-3-yl)methyl]-2-methyl-3H-pyrazolo[4,3-b]pyridin-6-yl]benzonitrile
CID 167185518
3-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carbonitrile
CID 84629732
4-[1-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]-5-phenylmethoxypyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 163661180
4-[5-(4-methylphenyl)-1-[[(2R)-oxocan-2-yl]methyl]pyrrolo[3,2-b]pyridin-6-yl]benzonitrile
CID 167185405
4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 150652221
4-(2-pyrrolidin-3-ylethoxy)pyrazolo[1,5-a]pyrazine
CID 114796406
4-[5-(4-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 121283073

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile (CID 123724047) is 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile is N#Cc1ccc(-c2cc3c(ccn3CC3CCNC3)nc2OCCC2CC2)cc1.
What is the InChIKey of 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile?
The InChIKey is HWOQJCOLUYEGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c25-14-18-3-5-20(6-4-18)21-13-23-22(27-24(21)29-12-9-17-1-2-17)8-11-28(23)16-19-7-10-26-15-19/h3-6,8,11,13,17,19,26H,1-2,7,9-10,12,15-16H2.
What are the key properties of 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile?
4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile has a molecular weight of 386.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-cyclopropylethoxy)-1-(pyrrolidin-3-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 123724047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).