3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine

C35H37FN8 — CID 145251318

About 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine

3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 145251318) has the molecular formula C35H37FN8 and a molecular weight of 588.74 g/mol. Its IUPAC name is 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine
• PubChem CID: 145251318
• Molecular Formula: C35H37FN8
• Molecular Weight: 588.74 g/mol
• Exact Mass: 588.31
• IUPAC Name: 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine
• SMILES: CN(C)CCCc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CC7CCNCC7)c6)nc45)cc23)c1
• InChI: InChI=1S/C35H37FN8/c1-44(2)13-3-4-23-15-25(18-27(36)17-23)28-9-12-39-35-29(28)19-32(41-35)34-33-31(42-43-34)6-5-30(40-33)26-16-24(20-38-21-26)14-22-7-10-37-11-8-22/h5-6,9,12,15-22,37H,3-4,7-8,10-11,13-14H2,1-2H3,(H,39,41)(H,42,43)
• InChIKey: CBXHKEJFSLONRV-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 98.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.74
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine?

The IUPAC name of 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine (CID 145251318) is 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CC7CCNCC7)c6)nc45)cc23)c1.

What is the InChIKey of 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine?

The InChIKey is CBXHKEJFSLONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN8/c1-44(2)13-3-4-23-15-25(18-27(36)17-23)28-9-12-39-35-29(28)19-32(41-35)34-33-31(42-43-34)6-5-30(40-33)26-16-24(20-38-21-26)14-22-7-10-37-11-8-22/h5-6,9,12,15-22,37H,3-4,7-8,10-11,13-14H2,1-2H3,(H,39,41)(H,42,43).

What are the key properties of 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine?

3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 588.74 g/mol, XLogP of 6.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145251318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).