N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C28H24N6S — CID 145252669

About N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 145252669) has the molecular formula C28H24N6S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• PubChem CID: 145252669
• Molecular Formula: C28H24N6S
• Molecular Weight: 476.61 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
• SMILES: C=C(CCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H24N6S/c1-3-4-17(2)31-21-9-20(12-29-13-21)18-5-6-25-23(10-18)28(34-33-25)26-11-22-24(19-7-8-35-16-19)14-30-15-27(22)32-26/h5-16,31-32H,2-4H2,1H3,(H,33,34)
• InChIKey: FHBJIHROTLXSMT-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.61
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The IUPAC name of N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 145252669) is N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

What is the SMILES notation for N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

The canonical SMILES for N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is C=C(CCC)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

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

What are the key properties of N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine?

N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 476.61 g/mol, XLogP of 7.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-pent-1-en-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 145252669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).