N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

C27H24FN9 — CID 137116134

About N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 137116134) has the molecular formula C27H24FN9 and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 137116134
• Molecular Formula: C27H24FN9
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.21
• IUPAC Name: N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnccn6)cc45)cc23)c1
• InChI: InChI=1S/C27H24FN9/c1-37(2)6-5-31-18-8-16(7-17(28)9-18)21-12-30-13-24-19(21)10-23(34-24)27-20-11-22(26-14-29-3-4-32-26)33-15-25(20)35-36-27/h3-4,7-15,31,34H,5-6H2,1-2H3,(H,35,36)
• InChIKey: JHJYIGMSGDUSQS-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 111.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 137116134) is N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cnccn6)cc45)cc23)c1.

What is the InChIKey of N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is JHJYIGMSGDUSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN9/c1-37(2)6-5-31-18-8-16(7-17(28)9-18)21-12-30-13-24-19(21)10-23(34-24)27-20-11-22(26-14-29-3-4-32-26)33-15-25(20)35-36-27/h3-4,7-15,31,34H,5-6H2,1-2H3,(H,35,36).

What are the key properties of N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 493.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-5-[2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 137116134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).