5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

C22H18ClFN8 — CID 137430589

About 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (PubChem CID 137430589) has the molecular formula C22H18ClFN8 and a molecular weight of 448.89 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
• PubChem CID: 137430589
• Molecular Formula: C22H18ClFN8
• Molecular Weight: 448.89 g/mol
• Exact Mass: 448.13
• IUPAC Name: 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
• SMILES: Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
• InChI: InChI=1S/C22H18ClFN8/c1-32-7-6-17(31-32)20-19(13-8-14-11-27-30-18(14)16(23)9-13)29-22(21(25)28-20)26-10-12-2-4-15(24)5-3-12/h2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)(H,27,30)
• InChIKey: PQMQDGPSQZRCCT-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 110.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.89
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (CID 137430589) is 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.

What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The InChIKey is PQMQDGPSQZRCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN8/c1-32-7-6-17(31-32)20-19(13-8-14-11-27-30-18(14)16(23)9-13)29-22(21(25)28-20)26-10-12-2-4-15(24)5-3-12/h2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)(H,27,30).

What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine has a molecular weight of 448.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 137430589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).