N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C29H29N7 — CID 145250159

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

N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145250159) has the molecular formula C29H29N7 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• PubChem CID: 145250159
• Molecular Formula: C29H29N7
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.25
• IUPAC Name: N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3n2)c1)C1CC1
• InChI: InChI=1S/C29H29N7/c1-18(19-8-9-19)31-21-14-20(16-30-17-21)23-10-11-25-28(33-23)29(35-34-25)26-15-22-24(32-26)6-5-7-27(22)36-12-3-2-4-13-36/h5-7,10-11,14-17,19,31-32H,1-4,8-9,12-13H2,(H,34,35)
• InChIKey: COFKHBRPWQRWLZ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 85.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145250159) is N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

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

The canonical SMILES for N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCCC6)cccc5[nH]4)c3n2)c1)C1CC1.

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

The InChIKey is COFKHBRPWQRWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7/c1-18(19-8-9-19)31-21-14-20(16-30-17-21)23-10-11-25-28(33-23)29(35-34-25)26-15-22-24(32-26)6-5-7-27(22)36-12-3-2-4-13-36/h5-7,10-11,14-17,19,31-32H,1-4,8-9,12-13H2,(H,34,35).

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

N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 475.60 g/mol, XLogP of 6.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethenyl)-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145250159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).