7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline

C22H22N4 — CID 170022018

IUPAC7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
SMILESCc1c[nH]c2ncc(-c3cc(C4CCCCN4)c4ccncc4c3)cc12
InChIInChI=1S/C22H22N4/c1-14-11-25-22-19(14)10-16(13-26-22)15-8-17-12-23-7-5-18(17)20(9-15)21-4-2-3-6-24-21/h5,7-13,21,24H,2-4,6H2,1H3,(H,25,26)
InChIKeyUCHKFRJSQWRWJH-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.90
Rot. Bonds2

About 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline

7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline (PubChem CID 170022018) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline.

Molecular Properties

Compound Name7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
PubChem CID170022018
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
SMILESCc1c[nH]c2ncc(-c3cc(C4CCCCN4)c4ccncc4c3)cc12
InChIInChI=1S/C22H22N4/c1-14-11-25-22-19(14)10-16(13-26-22)15-8-17-12-23-7-5-18(17)20(9-15)21-4-2-3-6-24-21/h5,7-13,21,24H,2-4,6H2,1H3,(H,25,26)
InChIKeyUCHKFRJSQWRWJH-UHFFFAOYSA-N
XLogP4.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline
CID 170022006
3-methyl-5-[8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromen-6-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164912704
N,N-dimethyl-3-[5-(8-pyrrolidin-2-ylisoquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-ynamide
CID 171606733
cyclohexyl-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170014331
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 164913259
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(oxan-4-ylmethyl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 164913166
[(1S)-2-(2-methyl-4-pyridinyl)-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-yl-3,4-dihydro-1H-isoquinolin-1-yl] formate
CID 174160462
[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 170022496
(5-methylpyrazin-2-yl)-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 164912863
[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 164912831
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)methanone
CID 170022507

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline?
The IUPAC name of 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline (CID 170022018) is 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline.
What is the SMILES notation for 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline?
The canonical SMILES for 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline is Cc1c[nH]c2ncc(-c3cc(C4CCCCN4)c4ccncc4c3)cc12.
What is the InChIKey of 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline?
The InChIKey is UCHKFRJSQWRWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-14-11-25-22-19(14)10-16(13-26-22)15-8-17-12-23-7-5-18(17)20(9-15)21-4-2-3-6-24-21/h5,7-13,21,24H,2-4,6H2,1H3,(H,25,26).
What are the key properties of 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline?
7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline has a molecular weight of 342.45 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline is sourced from PubChem (CID 170022018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).