5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C23H25N7 — CID 138692703

IUPAC5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4cc[nH]c34)nc12
InChIInChI=1S/C23H25N7/c1-14(2)30-23-20(25-11-16-12-26-29(4)13-16)10-19(27-21(23)15(3)28-30)18-7-5-6-17-8-9-24-22(17)18/h5-10,12-14,24H,11H2,1-4H3,(H,25,27)
InChIKeyYKKSPSQELFSSMW-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.81
Rot. Bonds5

About 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692703) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692703
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4cc[nH]c34)nc12
InChIInChI=1S/C23H25N7/c1-14(2)30-23-20(25-11-16-12-26-29(4)13-16)10-19(27-21(23)15(3)28-30)18-7-5-6-17-8-9-24-22(17)18/h5-10,12-14,24H,11H2,1-4H3,(H,25,27)
InChIKeyYKKSPSQELFSSMW-UHFFFAOYSA-N
XLogP4.81
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692703) is 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is Cc1nn(C(C)C)c2c(NCc3cnn(C)c3)cc(-c3cccc4cc[nH]c34)nc12.
What is the InChIKey of 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is YKKSPSQELFSSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-14(2)30-23-20(25-11-16-12-26-29(4)13-16)10-19(27-21(23)15(3)28-30)18-7-5-6-17-8-9-24-22(17)18/h5-10,12-14,24H,11H2,1-4H3,(H,25,27).
What are the key properties of 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 399.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-7-yl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).