N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine

C23H23ClFN7 — CID 24872599

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4c(F)cccc4Cl)c(N4CCNCC4)n3)cc12
InChIInChI=1S/C23H23ClFN7/c1-14-16-11-15(5-6-20(16)31-30-14)21-13-28-22(23(29-21)32-9-7-26-8-10-32)27-12-17-18(24)3-2-4-19(17)25/h2-6,11,13,26H,7-10,12H2,1H3,(H,27,28)(H,30,31)
InChIKeyUTJSRBBSFNWABT-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.14
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine (PubChem CID 24872599) has the molecular formula C23H23ClFN7 and a molecular weight of 451.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine
PubChem CID24872599
Molecular FormulaC23H23ClFN7
Molecular Weight451.94 g/mol
Exact Mass451.17
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine
SMILESCc1[nH]nc2ccc(-c3cnc(NCc4c(F)cccc4Cl)c(N4CCNCC4)n3)cc12
InChIInChI=1S/C23H23ClFN7/c1-14-16-11-15(5-6-20(16)31-30-14)21-13-28-22(23(29-21)32-9-7-26-8-10-32)27-12-17-18(24)3-2-4-19(17)25/h2-6,11,13,26H,7-10,12H2,1H3,(H,27,28)(H,30,31)
InChIKeyUTJSRBBSFNWABT-UHFFFAOYSA-N
XLogP4.14
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine (CID 24872599) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine is Cc1[nH]nc2ccc(-c3cnc(NCc4c(F)cccc4Cl)c(N4CCNCC4)n3)cc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine?
The InChIKey is UTJSRBBSFNWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7/c1-14-16-11-15(5-6-20(16)31-30-14)21-13-28-22(23(29-21)32-9-7-26-8-10-32)27-12-17-18(24)3-2-4-19(17)25/h2-6,11,13,26H,7-10,12H2,1H3,(H,27,28)(H,30,31).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine has a molecular weight of 451.94 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(3-methyl-2H-indazol-5-yl)-3-piperazin-1-ylpyrazin-2-amine is sourced from PubChem (CID 24872599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).