N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C25H21N7S — CID 138603373

About N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 138603373) has the molecular formula C25H21N7S and a molecular weight of 451.56 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 138603373
• Molecular Formula: C25H21N7S
• Molecular Weight: 451.56 g/mol
• Exact Mass: 451.16
• IUPAC Name: N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
• SMILES: CC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)ccnc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C25H21N7S/c1-14(2)29-17-7-16(10-26-11-17)21-9-20-23(12-28-21)31-32-24(20)22-8-19-18(15-4-6-33-13-15)3-5-27-25(19)30-22/h3-14,29H,1-2H3,(H,27,30)(H,31,32)
• InChIKey: TVEVDUOTDQQOCU-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.56
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 138603373) is N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccsc6)ccnc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is TVEVDUOTDQQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7S/c1-14(2)29-17-7-16(10-26-11-17)21-9-20-23(12-28-21)31-32-24(20)22-8-19-18(15-4-6-33-13-15)3-5-27-25(19)30-22/h3-14,29H,1-2H3,(H,27,30)(H,31,32).

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

N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 451.56 g/mol, XLogP of 6.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-5-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 138603373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).