6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid

C24H19N5O3 — CID 134280613

IUPAC6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid
SMILESCOc1ccc(Cn2nc(Nc3ccc4c(C(=O)O)nccc4c3)c3ncccc32)cc1
InChIInChI=1S/C24H19N5O3/c1-32-18-7-4-15(5-8-18)14-29-20-3-2-11-25-22(20)23(28-29)27-17-6-9-19-16(13-17)10-12-26-21(19)24(30)31/h2-13H,14H2,1H3,(H,27,28)(H,30,31)
InChIKeyRHBPWJPNYCSVEO-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.48
Rot. Bonds6

About 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid

6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid (PubChem CID 134280613) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid
PubChem CID134280613
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid
SMILESCOc1ccc(Cn2nc(Nc3ccc4c(C(=O)O)nccc4c3)c3ncccc32)cc1
InChIInChI=1S/C24H19N5O3/c1-32-18-7-4-15(5-8-18)14-29-20-3-2-11-25-22(20)23(28-29)27-17-6-9-19-16(13-17)10-12-26-21(19)24(30)31/h2-13H,14H2,1H3,(H,27,28)(H,30,31)
InChIKeyRHBPWJPNYCSVEO-UHFFFAOYSA-N
XLogP4.48
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid?
The IUPAC name of 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid (CID 134280613) is 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid.
What is the SMILES notation for 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid?
The canonical SMILES for 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid is COc1ccc(Cn2nc(Nc3ccc4c(C(=O)O)nccc4c3)c3ncccc32)cc1.
What is the InChIKey of 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid?
The InChIKey is RHBPWJPNYCSVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-32-18-7-4-15(5-8-18)14-29-20-3-2-11-25-22(20)23(28-29)27-17-6-9-19-16(13-17)10-12-26-21(19)24(30)31/h2-13H,14H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid?
6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid has a molecular weight of 425.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinoline-1-carboxylic acid is sourced from PubChem (CID 134280613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).