N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine

C28H24N6S — CID 137088135

About N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine

N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine (PubChem CID 137088135) has the molecular formula C28H24N6S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine.

Molecular Properties

• Compound Name: N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine
• PubChem CID: 137088135
• Molecular Formula: C28H24N6S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine
• SMILES: C=CCN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C)s6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H24N6S/c1-4-12-34(3)19-13-18(15-29-16-19)22-9-10-24-27(31-22)28(33-32-24)25-14-21-20(6-5-7-23(21)30-25)26-11-8-17(2)35-26/h4-11,13-16,30H,1,12H2,2-3H3,(H,32,33)
• InChIKey: UOLXWHYJYDHRFB-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine?

The IUPAC name of N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine (CID 137088135) is N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine.

What is the SMILES notation for N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine?

The canonical SMILES for N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine is C=CCN(C)c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C)s6)cccc5[nH]4)c3n2)c1.

What is the InChIKey of N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine?

The InChIKey is UOLXWHYJYDHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6S/c1-4-12-34(3)19-13-18(15-29-16-19)22-9-10-24-27(31-22)28(33-32-24)25-14-21-20(6-5-7-23(21)30-25)26-11-8-17(2)35-26/h4-11,13-16,30H,1,12H2,2-3H3,(H,32,33).

What are the key properties of N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine?

N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine has a molecular weight of 476.61 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 137088135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).