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

C30H31FN8 — CID 145249013

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

3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine (PubChem CID 145249013) has the molecular formula C30H31FN8 and a molecular weight of 522.63 g/mol. Its IUPAC name is 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
• PubChem CID: 145249013
• Molecular Formula: C30H31FN8
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.27
• IUPAC Name: 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine
• SMILES: CCc1nn(C)cc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(F)cc(CCCN(C)C)c5)cncc4[nH]3)c2n1
• InChI: InChI=1S/C30H31FN8/c1-5-24-23(17-39(4)37-24)25-8-9-26-29(34-25)30(36-35-26)27-14-21-22(15-32-16-28(21)33-27)19-11-18(12-20(31)13-19)7-6-10-38(2)3/h8-9,11-17,33H,5-7,10H2,1-4H3,(H,35,36)
• InChIKey: CAIYIUNSXKVAIQ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 91.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine (CID 145249013) is 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine.

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

The canonical SMILES for 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine is CCc1nn(C)cc1-c1ccc2[nH]nc(-c3cc4c(-c5cc(F)cc(CCCN(C)C)c5)cncc4[nH]3)c2n1.

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

The InChIKey is CAIYIUNSXKVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN8/c1-5-24-23(17-39(4)37-24)25-8-9-26-29(34-25)30(36-35-26)27-14-21-22(15-32-16-28(21)33-27)19-11-18(12-20(31)13-19)7-6-10-38(2)3/h8-9,11-17,33H,5-7,10H2,1-4H3,(H,35,36).

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

3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 522.63 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145249013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).