6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline

C24H21N5O — CID 138393053

IUPAC6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNCC2
InChIInChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)
InChIKeyPHOVPHVCAJYUNY-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.20
Rot. Bonds3

About 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline

6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 138393053) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID138393053
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNCC2
InChIInChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27)
InChIKeyPHOVPHVCAJYUNY-UHFFFAOYSA-N
XLogP4.20
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline (CID 138393053) is 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNCC2.
What is the InChIKey of 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PHOVPHVCAJYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-30-23-12-15-2-6-25-13-17(15)10-20(23)21-14-28-29-9-5-16(11-22(21)29)18-3-7-26-24-19(18)4-8-27-24/h3-5,7-12,14,25H,2,6,13H2,1H3,(H,26,27).
What are the key properties of 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 395.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 138393053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).