5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine

C24H17ClFN5S — CID 137430659

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1
InChIInChI=1S/C24H17ClFN5S/c25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14/h1-12H,13H2,(H2,27,29)(H,28,31)
InChIKeyPBTSWADNRADSKX-UHFFFAOYSA-N
MW461.95 g/mol
LogP6.35
Rot. Bonds5

About 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine (PubChem CID 137430659) has the molecular formula C24H17ClFN5S and a molecular weight of 461.95 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
PubChem CID137430659
Molecular FormulaC24H17ClFN5S
Molecular Weight461.95 g/mol
Exact Mass461.09
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1
InChIInChI=1S/C24H17ClFN5S/c25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14/h1-12H,13H2,(H2,27,29)(H,28,31)
InChIKeyPBTSWADNRADSKX-UHFFFAOYSA-N
XLogP6.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine (CID 137430659) is 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine?
The InChIKey is PBTSWADNRADSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN5S/c25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14/h1-12H,13H2,(H2,27,29)(H,28,31).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine has a molecular weight of 461.95 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).