3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine

C29H26FN7 — CID 137034327

About 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine

3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine (PubChem CID 137034327) has the molecular formula C29H26FN7 and a molecular weight of 491.57 g/mol. Its IUPAC name is 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine
• PubChem CID: 137034327
• Molecular Formula: C29H26FN7
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.22
• IUPAC Name: 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C29H26FN7/c1-37(2)11-3-4-18-12-20(16-31-15-18)25-13-23-27(17-33-25)35-36-29(23)26-14-22-24(34-26)9-10-32-28(22)19-5-7-21(30)8-6-19/h5-10,12-17,34H,3-4,11H2,1-2H3,(H,35,36)
• InChIKey: NIPDGXMGQRFCJK-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine (CID 137034327) is 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine.

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

The canonical SMILES for 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is NIPDGXMGQRFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7/c1-37(2)11-3-4-18-12-20(16-31-15-18)25-13-23-27(17-33-25)35-36-29(23)26-14-22-24(34-26)9-10-32-28(22)19-5-7-21(30)8-6-19/h5-10,12-17,34H,3-4,11H2,1-2H3,(H,35,36).

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

3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine has a molecular weight of 491.57 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 137034327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).