8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine

C20H12ClFN6 — CID 154608567

IUPAC8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nccnc12
InChIInChI=1S/C20H12ClFN6/c21-14-8-11(7-12-9-26-28-16(12)14)15-17(10-1-3-13(22)4-2-10)27-20(23)19-18(15)24-5-6-25-19/h1-9H,(H2,23,27)(H,26,28)
InChIKeyWXWUQIDZXBHPOW-UHFFFAOYSA-N
MW390.81 g/mol
LogP4.61
Rot. Bonds2

About 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine

8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 154608567) has the molecular formula C20H12ClFN6 and a molecular weight of 390.81 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID154608567
Molecular FormulaC20H12ClFN6
Molecular Weight390.81 g/mol
Exact Mass390.08
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nccnc12
InChIInChI=1S/C20H12ClFN6/c21-14-8-11(7-12-9-26-28-16(12)14)15-17(10-1-3-13(22)4-2-10)27-20(23)19-18(15)24-5-6-25-19/h1-9H,(H2,23,27)(H,26,28)
InChIKeyWXWUQIDZXBHPOW-UHFFFAOYSA-N
XLogP4.61
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine (CID 154608567) is 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3[nH]ncc3c2)c2nccnc12.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is WXWUQIDZXBHPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN6/c21-14-8-11(7-12-9-26-28-16(12)14)15-17(10-1-3-13(22)4-2-10)27-20(23)19-18(15)24-5-6-25-19/h1-9H,(H2,23,27)(H,26,28).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine?
8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 390.81 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 154608567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).