N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide

C24H17ClFN7O — CID 137430220

IUPACN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)c3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H17ClFN7O/c1-33-10-8-18(32-33)21-20(15-11-14-3-2-9-28-19(14)17(25)12-15)30-23(22(27)29-21)31-24(34)13-4-6-16(26)7-5-13/h2-12H,1H3,(H2,27,29)(H,30,31,34)
InChIKeyIWGOIJWMWSGCBE-UHFFFAOYSA-N
MW473.90 g/mol
LogP4.72
Rot. Bonds4

About N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide

N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide (PubChem CID 137430220) has the molecular formula C24H17ClFN7O and a molecular weight of 473.90 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide
PubChem CID137430220
Molecular FormulaC24H17ClFN7O
Molecular Weight473.90 g/mol
Exact Mass473.12
IUPAC NameN-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide
SMILESCn1ccc(-c2nc(N)c(NC(=O)c3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H17ClFN7O/c1-33-10-8-18(32-33)21-20(15-11-14-3-2-9-28-19(14)17(25)12-15)30-23(22(27)29-21)31-24(34)13-4-6-16(26)7-5-13/h2-12H,1H3,(H2,27,29)(H,30,31,34)
InChIKeyIWGOIJWMWSGCBE-UHFFFAOYSA-N
XLogP4.72
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide (CID 137430220) is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide is Cn1ccc(-c2nc(N)c(NC(=O)c3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide?
The InChIKey is IWGOIJWMWSGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN7O/c1-33-10-8-18(32-33)21-20(15-11-14-3-2-9-28-19(14)17(25)12-15)30-23(22(27)29-21)31-24(34)13-4-6-16(26)7-5-13/h2-12H,1H3,(H2,27,29)(H,30,31,34).
What are the key properties of N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide?
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide has a molecular weight of 473.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 137430220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).