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

C28H24N6S — CID 145250131

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

N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145250131) has the molecular formula C28H24N6S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145250131
• Molecular Formula: C28H24N6S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C)s6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H24N6S/c1-4-16(2)30-19-12-18(14-29-15-19)22-9-10-24-27(32-22)28(34-33-24)25-13-21-20(6-5-7-23(21)31-25)26-11-8-17(3)35-26/h5-15,30-31H,2,4H2,1,3H3,(H,33,34)
• InChIKey: TZVGVWHEHXCSQD-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• 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	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145250131) is N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(CC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(C)s6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is TZVGVWHEHXCSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6S/c1-4-16(2)30-19-12-18(14-29-15-19)22-9-10-24-27(32-22)28(34-33-24)25-13-21-20(6-5-7-23(21)31-25)26-11-8-17(3)35-26/h5-15,30-31H,2,4H2,1,3H3,(H,33,34).

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

N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 476.61 g/mol, XLogP of 7.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-1-en-2-yl-5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145250131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).